Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3829217

CC(N)c1cccc([N+](=O)[O-])c1.Cl

nearest known ligand 0.56

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
ACHE known ✓ P22303 1/20 0.52
CA2 known ✓ P00918 1/20 0.46
HSP90AA1 known ✓ P07900 1/20 0.46
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 4/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 0.52
ACP3 P15309 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
CA5A P35218 1/20 0.46
GRM8 O00222 1/20 0.46

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 SCHEMBL667745 1.00 MEN1 (0.56) MEN1HPGDKMT2AL3MBTL1TSHR
Hydrochloric Acid SCHEMBL3861536 1.00 MEN1 (0.56) MEN1HPGDKMT2AL3MBTL1TSHR
Hydrochloric Acid SCHEMBL6359108 1.00 MEN1 (0.56) MEN1HPGDKMT2AL3MBTL1TSHR
SCHEMBL2433538 0.98 TSHR (0.57) MEN1HPGDKMT2AL3MBTL1TSHR
SCHEMBL3858019 0.98 TSHR (0.57) MEN1HPGDKMT2AL3MBTL1TSHR
SCHEMBL3474257 0.98 TSHR (0.57) MEN1HPGDKMT2AL3MBTL1TSHR
SCHEMBL6359586 0.98 TSHR (0.57) MEN1HPGDKMT2AL3MBTL1TSHR
SCHEMBL6359584 0.98 TSHR (0.57) MEN1HPGDKMT2AL3MBTL1TSHR
Hydrochloric Acid SCHEMBL7787578 0.85 CYP19A1 (0.48) MEN1HPGDKMT2AL3MBTL1TSHR
SCHEMBL254876 0.83 TSHR (0.61) MEN1HPGDKMT2AL3MBTL1TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310870-C Enantiomerically enriched 1-phenylethylamines BAYER CHEMICALS AG (DE) 2007-04-18 CN claimed
US-20050131073-A1 Enantiomerically enriched 1-phenylethylamines LANXESS DEUTSCHLAND GMBH (DE) 2005-06-16 US claimed
CN-1603302-A Enantiomerically enriched 1-phenylethylamines BAYER CHEMICALS AG (DE) 2005-04-06 CN claimed
EP-3356348-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2021-05-05 EP disclosed
CN-108473472-B 2-aminoquinazoline derivatives as P70S6kinase inhibitors 圣提内尔肿瘤学有限公司 2021-02-12 CN disclosed
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2020-08-04 US disclosed
US-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2019-09-26 US disclosed
US-10344033-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2019-07-09 US disclosed
US-20180370975-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2018-12-27 US disclosed
EP-3356348-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS Sentinel Oncology Limited (GB) 2018-08-08 EP disclosed
CN-102317269-B Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2015-06-17 CN disclosed
CN-102317269-A Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2012-01-11 CN disclosed
CN-101611019-A The big ring serum prothrombin conversion accelerator (SPCA) a inhibitor that can be used as anticoagulant BRISTOL MYERS SQUIBB CO (US) 2009-12-23 CN disclosed
EP-2102176-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
CN-1310870-C Enantiomerically enriched 1-phenylethylamines BAYER CHEMICALS AG (DE) 2007-04-18 CN disclosed
US-20050131073-A1 Enantiomerically enriched 1-phenylethylamines LANXESS DEUTSCHLAND GMBH (DE) 2005-06-16 US disclosed
CN-1603302-A Enantiomerically enriched 1-phenylethylamines BAYER CHEMICALS AG (DE) 2005-04-06 CN disclosed
EP-1505056-A1 Enantiomerically enriched 1-phenylethylamines Bayer Chemicals AG (DE) 2005-02-09 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 (5 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-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR ACHE 4657/4885CA2 2276/4885HSP90AA1 1208/4885
US-20050131073-A1 Enantiomerically enriched 1-phenylethylamines PNMT, COMT, ADRA1A ACHE 322/4885CA2 4783/4885HSP90AA1 4044/4885
US-20180370975-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR ACHE 4657/4885CA2 2276/4885HSP90AA1 1208/4885
US-10344033-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR ACHE 4657/4885CA2 2276/4885HSP90AA1 1208/4885
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR ACHE 4657/4885CA2 2276/4885HSP90AA1 1208/4885

“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.