Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5338849

CCOC(=N)Cc1ccccc1F.Cl

nearest known ligand 0.45

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 16)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 4/20 0.42
IDO1 P14902 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37

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 SCHEMBL30309026 0.83 KMT2A (0.37) ALDH1A1KDM4EPOLBL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL5340879 0.82 CTBP2 (0.41) ALDH1A1KDM4EKMT2ANPSR1TAAR1
SCHEMBL12641536 0.81 TAAR1 (0.44) ALDH1A1KDM4EPOLBL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL9735062 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL2823143 0.80 IDO1 (0.45) ALDH1A1KDM4EPOLBKMT2AIDO1
Hydrochloric Acid SCHEMBL5342849 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1KMT2AIDO1
Hydrochloric Acid SCHEMBL5352081 0.79 POLQ (0.48) ALDH1A1KDM4EKMT2AIDO1MEN1
Hydrochloric Acid SCHEMBL6406497 0.78 LMNA (0.49) ALDH1A1POLBKMT2AIDO1TAAR1
Hydrochloric Acid SCHEMBL26611579 0.78 PYCR1 (0.38) KDM4EKMT2ANPC1RAB9AMAPK1
SCHEMBL31053374 0.77 L3MBTL1 (0.60) ALDH1A1KDM4EPOLBL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368092-A1 2,4-Dihydro-3H-1,2,4-Triazol-3-One P2X7 Antagonists BREYE THERAPEUTICS APS (DK) 2024-11-07 US disclosed
EP-4396181-A1 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P2X7 ANTAGONISTS Breye Therapeutics ApS (DK) 2024-07-10 EP disclosed
CN-117881675-A 2, 4-dihydro-3H-1, 2, 4-triazol-3-one P2X7 antagonists 布雷耶疗法有限公司 2024-04-12 CN disclosed
WO-2023031319-A1 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P2X7 ANTAGONISTS AXXAM S.P.A. (IT) 2023-03-09 WO disclosed
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
WO-2006017406-A1 CYANOAMIDINE P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2006-02-16 WO disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 US disclosed
EP-0402096-B1 Anticonvulsant pyrazines WELLCOME FOUND (GB) 1996-08-21 EP disclosed
US-5095018-A Anticonvulsants BURROUGHS WELLCOME CO. (US) 1992-03-10 US disclosed
EP-0402096-A2 Anticonvulsant pyrazines THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-12 EP 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 (3 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-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 GAA 4220/4885ALDH1A1 3848/4885KDM4E 3687/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 GAA 4220/4885ALDH1A1 3848/4885KDM4E 3687/4885
US-20240368092-A1 2,4-Dihydro-3H-1,2,4-Triazol-3-One P2X7 Antagonists P2RX3, P2RX7, P2RX2 GAA 3011/4885ALDH1A1 1602/4885KDM4E 4268/4885

“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.