Hydrochloric Acid

Hydrochloric Acid

SCHEMBL647895

COC(=N)c1ccccc1.Cl

nearest known ligand 0.50

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
SRC known ✓ P12931 1/20 0.41
SLC6A3 known ✓ Q01959 1/20 0.37
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.48
KMT2A Q03164 4/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
C1S P09871 1/20 0.46
RECQL P46063 1/20 0.46
F2 P00734 2/20 0.44
F10 P00742 1/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
CES1 P23141 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 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
SCHEMBL441069 0.97 TSHR (0.52) TSHRBLMKMT2APRSS1PRSS2
Hydrochloric Acid SCHEMBL1821949 0.93 TSHR (0.48) TSHRBLMKMT2APRSS1PRSS2
Hydrochloric Acid SCHEMBL10515151 0.87 WDR5 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11308665 0.83 TSHR (0.45) TSHRBLMKMT2AF2F10
SCHEMBL14269665 0.79 PRSS1 (0.58) KMT2APRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8259804 0.78 TSHR (0.43) TSHRBLMKMT2APRSS1PRSS2
Hydrochloric Acid SCHEMBL11615422 0.78 TDP1 (0.52) KMT2APKMCES1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL561736 0.78 CA12 (0.52) TSHRBLMKMT2ARECQLF12
Hydrochloric Acid SCHEMBL6643309 0.77 BLM (0.50) TSHRBLMKMT2APRSS1PRSS2
Hydrochloric Acid SCHEMBL26618193 0.77 TSHR (0.41) TSHRBLMKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708838-B2 Chemical sequestration of wellbore fluids in electric submersible pump systems HALLIBURTON ENERGY SERVICES, INC. (US) 2023-07-25 US claimed
US-20220003240-A1 CHEMICAL SEQUESTRATION OF WELLBORE FLUIDS IN ELECTRIC SUBMERSIBLE PUMP SYSTEMS HALLIBURTON ENERGY SERVICES, INC. 2022-01-06 US claimed
WO-2022005484-A1 CHEMICAL SEQUESTRATION OF WELLBORE FLUIDS IN ELECTRIC SUBMERSIBLE PUMP SYSTEMS HALLIBURTON ENERGY SERVICES, INC. (US) 2022-01-06 WO claimed
CN-101591265-B Method for preparing benzyl imine methyl ether hydrochloride ZHUHAI UNITED LAB CO LTD 2013-06-05 CN claimed
CN-101591265-A A kind of preparation method of benzyl imine methyl ether hydrochloride ZHUHAI UNITED LAB CO LTD (CN) 2009-12-02 CN claimed
US-11708838-B2 Chemical sequestration of wellbore fluids in electric submersible pump systems HALLIBURTON ENERGY SERVICES, INC. (US) 2023-07-25 US disclosed
US-20220003240-A1 CHEMICAL SEQUESTRATION OF WELLBORE FLUIDS IN ELECTRIC SUBMERSIBLE PUMP SYSTEMS HALLIBURTON ENERGY SERVICES, INC. 2022-01-06 US disclosed
WO-2022005484-A1 CHEMICAL SEQUESTRATION OF WELLBORE FLUIDS IN ELECTRIC SUBMERSIBLE PUMP SYSTEMS HALLIBURTON ENERGY SERVICES, INC. (US) 2022-01-06 WO disclosed
US-11026936-B2 Piperidinyl-propanone derivatives MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
US-20200253949-A1 PIPERIDINYL-PROPANONE DERIVATIVES MERCK PATENT GMBH (DE) 2020-08-13 US disclosed
EP-3436443-B1 N1-(3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2020-03-11 EP disclosed
EP-3436443-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE Merck Patent GmbH (DE) 2019-02-06 EP disclosed
US-5300477-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-04-05 US disclosed
EP-0579424-A1 2-substituted pyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP disclosed
US-5208228-A Skin disorders MERCK & CO., INC. (US) 1993-05-04 US disclosed
EP-0530888-A1 Fluoromacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-03-10 EP disclosed
US-5189042-A Treating autoimmune diseases, preventing transplant rejection MERCK & CO. INC. (US) 1993-02-23 US disclosed
US-5047570-A Reacting nitrile with alkanol inpresence of hydrogen halide, then with malodinitrile BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
EP-0428365-A1 Aminomacrolides and derivatives having immunosuppressive activity MERCK & CO. INC. (US) 1991-05-22 EP disclosed
US-4808530-A Protein immobilization by adsorption of a hydrophobic amidine protein derivative to a hydrophobic surface THE OHIO STATE UNIVERSITY (US) 1989-02-28 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 (2 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-11026936-B2 Piperidinyl-propanone derivatives PDK2, PDK3, PDK1 SRC 3645/4885SLC6A3 4146/4885TSHR 3297/4885
US-20200253949-A1 PIPERIDINYL-PROPANONE DERIVATIVES PDK2, PDK3, PDK1 SRC 3645/4885SLC6A3 4146/4885TSHR 3297/4885

“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.