Hydrochloric Acid

Hydrochloric Acid

SCHEMBL423366

Cl.N#Cc1ccc(NN)cc1Cl

nearest known ligand 0.61

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 17)

geneUniProtsupporting neighboursconfidence
S1PR3 known ✓ Q99500 1/20 0.40
GAA known ✓ P10253 1/20 0.39
IDO1 P14902 1/20 0.61
TRPV4 Q9HBA0 1/20 0.50
SLC22A12 Q96S37 6/20 0.49
GRM4 Q14833 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
AR P10275 4/20 0.39
CYP11B2 P19099 1/20 0.39
BLM P54132 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
SCHEMBL425967 0.98 IDO1 (0.63) IDO1TRPV4SLC22A12GRM4KDM4E
SCHEMBL3833327 0.82 SLC22A12 (0.50) IDO1TRPV4SLC22A12GRM4KDM4E
SCHEMBL6125193 0.78 IDO1 (0.54) IDO1TRPV4SLC22A12GRM4S1PR3
SCHEMBL15357415 0.77 IDO1 (0.53) IDO1TRPV4SLC22A12GRM4S1PR3
Hydrochloric Acid SCHEMBL5057770 0.77 TRPV4 (0.50) IDO1TRPV4CYP11B2
Hydrochloric Acid SCHEMBL425553 0.77 ABCG2 (0.43) IDO1SLC22A12KDM4ES1PR3ALDH1A1
SCHEMBL16854124 0.76 IDO1 (0.55) IDO1TRPV4SLC22A12GRM4S1PR3
SCHEMBL19557916 0.76 IDO1 (0.51) IDO1TRPV4SLC22A12GRM4S1PR3
Hydrochloric Acid SCHEMBL629175 0.74 MAPT (0.53) IDO1KDM4ENPC1POLBMAPT
SCHEMBL3623834 0.74 TRPV4 (0.52) IDO1TRPV4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937348-B1 PROCESS FOR THE PREPARATION OF A COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST KBP BIOSCIENCES PTE LTD (SG) 2021-09-08 EP claimed
US-9809589-B2 Crystal form of compound used as mineralocorticoid receptor antagonist and preparation method therefor KBP BIOSCIENCES CO., LTD. (CN) 2017-11-07 US claimed
US-20150336950-A1 CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR KBP BIOSCIENCES CO., LTD. (CN) 2015-11-26 US claimed
CN-105026391-A Crystal form of compound used as mineralocorticoid receptor antagonist and preparation method therefor KBP BIOSCIENCES CO LTD 2015-11-04 CN claimed
EP-2937348-A1 CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR KBP Biosciences Co., Ltd. (CN) 2015-10-28 EP claimed
EP-3954688-A1 CRYSTAL FORMS OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND METHODS FOR THEIR PREPARATION KBP BIOSCIENCES PTE. LTD. (SG) 2022-02-16 EP disclosed
EP-2937348-B1 PROCESS FOR THE PREPARATION OF A COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST KBP BIOSCIENCES PTE LTD (SG) 2021-09-08 EP disclosed
US-9809589-B2 Crystal form of compound used as mineralocorticoid receptor antagonist and preparation method therefor KBP BIOSCIENCES CO., LTD. (CN) 2017-11-07 US disclosed
US-9468635-B2 Fused ring compound for use as mineralocorticoid receptor antagonist KBP BIOSCIENCES CO., LTD. (CN) 2016-10-18 US disclosed
US-20150336950-A1 CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR KBP BIOSCIENCES CO., LTD. (CN) 2015-11-26 US disclosed
CN-105026391-A Crystal form of compound used as mineralocorticoid receptor antagonist and preparation method therefor KBP BIOSCIENCES CO LTD 2015-11-04 CN disclosed
EP-2937348-A1 CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR KBP Biosciences Co., Ltd. (CN) 2015-10-28 EP disclosed
WO-2008053300-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed
CN-1072210-C 1-phenyl-3-pyrazolecarboxamides active on neurotensin receptors SANOFI SYNTHELABO (FR) 2001-10-03 CN disclosed
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 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 (1 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-20150336950-A1 CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR NR3C2, REN, MC2R S1PR3 1065/4885GAA 4613/4885IDO1 4726/4885

“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.