Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2672840

CCc1cc(-c2ccc(CNCC3CCCCC3)s2)c(C)[nH]c1=O.Cl

nearest known ligand 0.35

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
▸ HDAC6 known ✓ Q9UBN7 2/20 0.32
▸ CA2 known ✓ P00918 1/20 0.31
▸ ROCK1 known ✓ Q13464 1/20 0.31
▸ HDAC3 known ✓ O15379 1/20 0.31
▸ HDAC1 known ✓ Q13547 1/20 0.31
▸ HDAC2 known ✓ Q92769 1/20 0.31
▸ HDAC8 known ✓ Q9BY41 1/20 0.31
▸ PDPK1 O15530 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ EP300 Q09472 6/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESRRA P11474 1/20 0.31

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
SCHEMBL6371296 0.99 PDPK1 (0.35) PDPK1HPGDKDM4EALDH1A1THRB
Hydrochloric Acid SCHEMBL2673746 0.85 SMN1; SMN2 (0.41) HPGDKDM4EALDH1A1NPC1TP53
SCHEMBL6371362 0.84 KDM4E (0.41) HPGDKDM4EALDH1A1NPC1TP53
Hydrochloric Acid SCHEMBL2674434 0.84 ALDH1A1 (0.39) HPGDKDM4EALDH1A1EP300NPC1
SCHEMBL5710061 0.83 ALDH1A1 (0.40) HPGDKDM4EALDH1A1EP300NPC1
Hydrochloric Acid SCHEMBL5710182 0.82 ACHE (0.40) TP53
Hydrochloric Acid SCHEMBL2674531 0.82 SMN1; SMN2 (0.37) HPGDKDM4EALDH1A1EP300NPC1
Hydrochloric Acid SCHEMBL2673336 0.82 EP300 (0.34) HPGDKDM4EALDH1A1EP300SMN1; SMN2
Hydrochloric Acid SCHEMBL2674209 0.82 CD274 (0.39) ALDH1A1CA2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL2674064 0.81 OPRM1 (0.35) HPGDKDM4EALDH1A1SMN1; SMN2

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
CN-108409651-B Method for preparing 8-hydroxy-2-methylquinoline by using waste residue of chloroquinate 北京金城泰尔制药有限公司沧州分公司 2021-03-02 — — CN claimed
CN-110845407-A Preparation method of chloroquinate crystal 北京金城泰尔制药有限公司 2020-02-28 — — CN claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US claimed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US claimed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO claimed
CN-119875972-A Methods and compositions for preventing microbial infection 比奥普来克斯有限公司 2025-04-25 — — CN disclosed
CN-111918960-B Methods and compositions for preventing microbial infection 比奥普来克斯有限公司 2025-01-28 — — CN disclosed
CN-118750495-A Application of chlorquinaldo 广州医科大学 2024-10-11 — — CN disclosed
CN-115916752-A Aryltetrahydropyridine derivatives or salts thereof, and pesticides containing the same and methods of use thereof 日本农药株式会社 2023-04-04 — — CN disclosed
CN-112521334-B Method for preparing 8-hydroxy-2-methylquinoline based on chloroquinate waste residue 北京金城泰尔制药有限公司沧州分公司 2022-02-25 — — CN disclosed
CN-114081883-A Application of cloquindol in preparation of antitumor drugs 武汉科技大学 2022-02-25 — — CN disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
EP-1339725-B1 DNA METHYL TRANSFERASE INHIBITORS PENN STATE RES FOUND (US) 2006-11-22 — — EP disclosed
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 — — US disclosed
EP-1339725-A2 DNA METHYL TRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2003-09-03 — — EP disclosed
WO-2002044184-A2 DNA METHYL TRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2002-06-06 — — WO disclosed
JP-2000281651-A SEPARATION OF QUINALDINE DERIVATIVE SUMIKIN CHEMICAL CO LTD 2000-10-10 — — JP disclosed
US-5274096-A Hydrazine synthesis MERCK & CO., INC. (US) 1993-12-28 — — 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 (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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 HDAC6 1821/4885CA2 4624/4885ROCK1 963/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 HDAC6 1821/4885CA2 4624/4885ROCK1 963/4885
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT HDAC6 492/4885CA2 3114/4885ROCK1 1135/4885

“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.

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