Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16039293

Cl.O=C(/C=C/C(=O)OCCNc1ccccc1)OCCNc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 1/20 0.40
HCAR2 Q8TDS4 2/20 0.50
AKR1B10 O60218 4/20 0.44
AKR1B1 P15121 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.40
THRB P10828 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16039243 0.98 HCAR2 (0.51) HCAR2AKR1B10AKR1B1MAPTALDH1A1
Hydrochloric Acid SCHEMBL16039291 0.95 HCAR2 (0.58) HCAR2AKR1B10AKR1B1MAPTALDH1A1
Hydrochloric Acid SCHEMBL16039294 0.95 HCAR2 (0.58) HCAR2AKR1B10AKR1B1MAPTALDH1A1
Hydrochloric Acid SCHEMBL29542096 0.94 HCAR2 (0.45) HCAR2AKR1B10AKR1B1MAPTALDH1A1
SCHEMBL16039244 0.93 HCAR2 (0.59) HCAR2AKR1B10AKR1B1MAPTALDH1A1
SCHEMBL16039246 0.93 HCAR2 (0.59) HCAR2AKR1B10AKR1B1MAPTALDH1A1
SCHEMBL15500063 0.92 HCAR2 (0.46) HCAR2AKR1B10AKR1B1MAPTALDH1A1
SCHEMBL26032685 0.89 HCAR2 (0.43) HCAR2AKR1B10AKR1B1MAPTALDH1A1
SCHEMBL26033078 0.87 HCAR2 (0.42) HCAR2AKR1B10AKR1B1MAPTALDH1A1
SCHEMBL988048 0.85 THRB (0.57) HCAR2AKR1B10AKR1B1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905298-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2024-02-20 US disclosed
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-01-25 US disclosed
EP-4230264-A2 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2023-08-23 EP disclosed
EP-3366668-B1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LTD (IE) 2023-06-21 EP disclosed
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2023-06-20 US disclosed
US-11230548-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2022-01-25 US disclosed
US-11083703-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2021-08-10 US disclosed
US-20210122758-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-04-29 US disclosed
US-20200352893-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-11-12 US disclosed
CN-107501110-B Fumarate prodrugs and their use in the treatment of various diseases 阿尔克梅斯制药爱尔兰有限公司 2020-05-05 CN disclosed
CN-107501110-A Fumarate pro-drug and its application in a variety of diseases are treated 阿尔克梅斯制药爱尔兰有限公司 2017-12-22 CN disclosed
US-9775823-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2017-10-03 US disclosed
CN-105452213-B Fumarate prodrugs and their use in the treatment of various diseases 阿尔克梅斯制药爱尔兰有限公司 2017-09-22 CN disclosed
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-04-06 US disclosed
US-20160137660-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LTD (IE) 2016-05-19 US disclosed
CN-105452213-A Fumarate prodrugs and their use in the treatment of various diseases ALKERMES PHARMA IRELAND LTD 2016-03-30 CN disclosed
EP-2970101-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2016-01-20 EP disclosed
US-9090558-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2015-07-28 US disclosed
WO-2014152494-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-25 WO disclosed
US-20140275205-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2014-09-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11083703-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 MAOB 589/4885HCAR2 613/4885AKR1B10 133/4885
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 MAOB 589/4885HCAR2 613/4885AKR1B10 133/4885
US-20200352893-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 MAOB 589/4885HCAR2 613/4885AKR1B10 133/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 MAOB 589/4885HCAR2 613/4885AKR1B10 133/4885
US-20210122758-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, CBR1, CBR3 MAOB 212/4885HCAR2 107/4885AKR1B10 66/4885
US-20140275205-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, CBR1, CBR3 MAOB 212/4885HCAR2 107/4885AKR1B10 66/4885
US-11230548-B2 Prodrugs of fumarates and their use in treating various diseases FH, CBR1, CBR3 MAOB 212/4885HCAR2 107/4885AKR1B10 66/4885
US-11905298-B2 Prodrugs of fumarates and their use in treating various diseases FH, CBR1, CBR3 MAOB 221/4885HCAR2 107/4885AKR1B10 92/4885
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 MAOB 589/4885HCAR2 613/4885AKR1B10 133/4885
US-20160137660-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, CBR1, CBR3 MAOB 212/4885HCAR2 107/4885AKR1B10 66/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.