Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1873541

Cl.O=C(N[C@H]1CCNC1)C(F)(F)F

nearest known ligand 0.44

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
HDAC4 known ✓ P56524 3/20 0.40
KCNH2 known ✓ Q12809 1/20 0.37
HDAC6 known ✓ Q9UBN7 1/20 0.36
HRH3 known ✓ Q9Y5N1 1/20 0.35
CHRM2 known ✓ P08172 1/20 0.34
CHRM1 known ✓ P11229 1/20 0.34
CHRM3 known ✓ P20309 1/20 0.34
PARP1 known ✓ P09874 1/20 0.33
EPHX1 P07099 3/20 0.44
POLB P06746 1/20 0.40
PKM P14618 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
HPSE Q9Y251 1/20 0.38
KDM1A O60341 1/20 0.36
SSTR1 P30872 2/20 0.35
SSTR4 P31391 2/20 0.35
HRH4 Q9H3N8 1/20 0.35

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 SCHEMBL1027224 1.00 EPHX1 (0.44) EPHX1HDAC4POLBPKMPDK1
Hydrochloric Acid SCHEMBL1878764 1.00 EPHX1 (0.44) EPHX1HDAC4POLBPKMPDK1
SCHEMBL1029383 0.98 EPHX1 (0.45) EPHX1HDAC4POLBPKMPDK1
SCHEMBL3405244 0.98 EPHX1 (0.45) EPHX1HDAC4POLBPKMPDK1
SCHEMBL3402629 0.98 EPHX1 (0.45) EPHX1HDAC4POLBPKMPDK1
Hydrochloric Acid SCHEMBL439397 0.89 EPHX1 (0.57) EPHX1HDAC4POLBPKMPDK1
SCHEMBL5347904 0.87 MAPK1 (0.43) EPHX1HDAC4PKMPDK1PDK2
SCHEMBL5113323 0.87 MAPK1 (0.43) EPHX1HDAC4PKMPDK1PDK2
SCHEMBL5347905 0.87 MAPK1 (0.43) EPHX1HDAC4PKMPDK1PDK2
SCHEMBL4374405 0.86 EPHX1 (0.59) EPHX1HDAC4POLBPKMPDK1

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-20240246913-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-07-25 US disclosed
EP-4347563-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2024-04-10 EP disclosed
WO-2023059792-A1 CORONAVIRUS NON-STRUCTURAL PROTEIN 3 DEGRADING COMPOUNDS C4 THRAPEUTICS, INC. (US) 2023-04-13 WO disclosed
WO-2022248887-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-12-01 WO disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
CN-105001226-A Tricycle heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2015-10-28 CN disclosed
EP-2742049-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2014-06-18 EP disclosed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US disclosed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
EP-0641793-B1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU PHARMACEUTICAL (JP) 1996-10-23 EP disclosed
US-5547962-A QUINOLONE ANTIBIOTICS HORURIKU SEIYAKU CO., LTD. (JP) 1996-08-20 US disclosed
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 EP disclosed
US-5126337-A Wide-spectrum bactericides HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-06-30 US disclosed
EP-0465716-A1 Optically active thiazetoquino-line-3-carboxylic acid compound, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
EP-0393538-A2 Thiazetoquinoline-3-Carboxylic acid derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 HDAC4 2589/4885KCNH2 3229/4885HDAC6 1645/4885
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R HDAC4 3175/4885KCNH2 3291/4885HDAC6 2325/4885
US-20240246913-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES IDO2, IDO1, COMT HDAC4 2997/4885KCNH2 2550/4885HDAC6 1714/4885

“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.