Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1321859

Cl.NCC#Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
HTR2A known ✓ P28223 1/20 0.52
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
CYP2C19 P33261 6/20 0.95
CYP3A4 P08684 5/20 0.95
CYP2C9 P11712 5/20 0.95
CYP1A2 P05177 5/20 0.95
THPO P40225 1/20 0.95
CYP2E1 P05181 4/20 0.59
CYP2A6 P11509 4/20 0.59
CYP2B6 P20813 4/20 0.59
CYP2D6 P10635 3/20 0.59
CYP2C8 P10632 2/20 0.59
APP P05067 1/20 0.52
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.41

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
SCHEMBL2386 0.97 CYP2C19 (1.00) BLMPMP22CYP2C19CYP3A4CYP2C9
SCHEMBL6449000 0.84 CYP2C19 (0.75) BLMPMP22CYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL9018599 0.81 BLM (0.68) BLMPMP22CYP2C19CYP3A4CYP2C9
SCHEMBL31244037 0.80 CYP2C19 (0.70) BLMPMP22CYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL25239520 0.78 BLM (0.64) BLMPMP22CYP2C19CYP3A4CYP2C9
SCHEMBL1444744 0.78 CYP1A2 (0.67) BLMPMP22CYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL21803751 0.76 BLM (0.61) BLMPMP22CYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL21803742 0.76 BLM (0.61) BLMPMP22CYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL25234072 0.76 BLM (0.61) BLMPMP22CYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL25281417 0.76 BLM (0.61) BLMPMP22CYP2C19CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 US disclosed
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON INC (US) 2017-02-02 US disclosed
US-9475766-B2 Substituted aromatic sulfur compounds and methods of their use CEPHALON, INC. (US) 2016-10-25 US disclosed
US-20140005175-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON, INC. (US) 2014-01-02 US disclosed
US-8058243-B2 Method for treating a brain cancer with ifenprodil HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2011-11-15 US disclosed
US-20090076019-A1 METHODS FOR TREATING NEUROLOGICAL DISORDERS OR DAMAGE MOUNT SINAI HOSPITAL (CA) 2009-03-19 US disclosed
US-6395730-B1 CARDIOVASCULAR DISORDERS ICAGEN, INC. 2002-05-28 US disclosed
EP-1082315-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2001-03-14 EP disclosed
US-6174908-B1 TREATING DISEASE, CONDITION, OR DISORDER WHICH RESPONDS TO INHIBITION OF POTASSIUM CHANNEL FUNCTION BY ADMINISTERING THIAZOLIDONE OR METATHIAZONONE COMPOUND, ITS SALT, AMIDE, ESTER, COMPLEX, CHELATE, HYDRATE, STEREOISOMER, METABOLITE ICAGEN, INC. 2001-01-16 US disclosed
WO-1999062891-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-12-09 WO disclosed
EP-0658803-B1 A class of compounds which increases and stabilizes photographic speed EASTMAN KODAK CO (US) 1998-09-02 EP disclosed
US-5707931-A 4-amino-2-quinolinone derivatives KOREA RESEARCH INTSITUTED OF CHEMICAL TECHNOLOGY (KR) 1998-01-13 US disclosed
US-5500333-A OXAZOLE OR THIAZOLE COMPOUNDS CONTAINING ALKYNE GROUP EASTMAN KODAK COMPANY (US) 1996-03-19 US disclosed
EP-0658803-A1 A class of compounds which increases and stabilizes photographic speed EASTMAN KODAK COMPANY (US) 1995-06-21 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 (6 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-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 HTR2A 3441/4885BLM 4128/4885PMP22 788/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS HTR2A 3526/4885BLM 3982/4885PMP22 772/4885
US-20140005175-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use RB1, NRAS, TP53 HTR2A 2606/4885BLM 761/4885PMP22 2508/4885
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use RB1, NRAS, TP53 HTR2A 2606/4885BLM 761/4885PMP22 2508/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 HTR2A 3441/4885BLM 4128/4885PMP22 788/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 HTR2A 2441/4885BLM 2622/4885PMP22 171/4885

“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.