Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6706475

COC(=O)C(N)Cc1ccc(F)c(F)c1.Cl

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 1/20 0.43
MAOB known ✓ P27338 1/20 0.43
DPP4 known ✓ P27487 4/20 0.43
EGFR known ✓ P00533 1/20 0.40
LCK known ✓ P06239 1/20 0.40
PTGS1 known ✓ P23219 1/20 0.40
HTR2A known ✓ P28223 1/20 0.40
PTGS2 known ✓ P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.55
SLC7A5 Q01650 3/20 0.43
DPP7 Q9UHL4 1/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Hydrochloric Acid SCHEMBL4037085 1.00 ALDH1A1 (0.55) ALDH1A1MAOAMAOBDPP4SLC7A5
Hydrochloric Acid SCHEMBL16059777 1.00 ALDH1A1 (0.55) ALDH1A1MAOAMAOBDPP4SLC7A5
Hydrochloric Acid SCHEMBL29728759 1.00 ALDH1A1 (0.55) ALDH1A1MAOAMAOBDPP4SLC7A5
SCHEMBL16060230 0.98 ALDH1A1 (0.53) ALDH1A1MAOAMAOBDPP4SLC7A5
SCHEMBL6706478 0.98 ALDH1A1 (0.53) ALDH1A1MAOAMAOBDPP4SLC7A5
SCHEMBL16059778 0.98 ALDH1A1 (0.53) ALDH1A1MAOAMAOBDPP4SLC7A5
Hydrochloric Acid SCHEMBL30832116 0.88 ALDH1A1 (0.53) ALDH1A1SLC7A5KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL21623775 0.88 ALDH1A1 (0.53) ALDH1A1SLC7A5KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL27464325 0.88 ALDH1A1 (0.53) ALDH1A1SLC7A5KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL5363548 0.88 ALDH1A1 (0.53) ALDH1A1SLC7A5KDM4EUSP2EGFR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298138-A1 ENZYME INHIBITORS SYGNATURE DISCOVERY LIMITED (GB) 2022-09-22 US disclosed
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2022-08-30 US disclosed
EP-4017586-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114269431-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-01 CN disclosed
CN-105142635-B Heterocyclic compounds useful for the treatment of diseases 艾匹根生物技术有限公司 2021-07-27 CN disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
EP-2988743-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES INC (US) 2020-12-09 EP disclosed
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2020-06-11 US disclosed
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2019-05-09 US disclosed
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease EPIGEN BIOSCIENCES, INC. (US) 2018-10-18 US disclosed
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2018-06-19 US disclosed
EP-2988743-A2 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE Epigen Biosciences, Inc. (US) 2016-03-02 EP disclosed
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2016-01-28 US disclosed
WO-2014145873-A2 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2014-09-18 WO disclosed
US-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 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 (9 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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof NPY1R, ADCY1, SRD5A1 MAOA 62/4885MAOB 249/4885DPP4 2910/4885
US-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR2, LPAR4 MAOA 2592/4885MAOB 2487/4885DPP4 1140/4885
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease LPAR1, LPAR4, LPAR2 MAOA 3408/4885MAOB 3113/4885DPP4 909/4885
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 MAOA 3504/4885MAOB 3537/4885DPP4 620/4885
US-20220298138-A1 ENZYME INHIBITORS SERPINB1, CMA1, MAOB MAOA 13/4885MAOB 3/4885DPP4 378/4885
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 MAOA 3504/4885MAOB 3537/4885DPP4 620/4885
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE LPAR1, LPAR4, LPAR3 MAOA 3477/4885MAOB 3592/4885DPP4 575/4885
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR4, LPAR3 MAOA 3504/4885MAOB 3537/4885DPP4 620/4885
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR2, LPAR4 MAOA 2592/4885MAOB 2487/4885DPP4 1140/4885

“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.