Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17823737

C[C@@H](N)c1ccc(Cl)cn1.Cl.Cl

nearest known ligand 0.45

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
ADRB2 known ✓ P07550 1/20 0.45
ADRA2A known ✓ P08913 3/20 0.40
ADRA2B known ✓ P18089 3/20 0.40
ADRA2C known ✓ P18825 3/20 0.40
SLC6A3 known ✓ Q01959 2/20 0.36
SLC6A2 known ✓ P23975 1/20 0.36
GLA known ✓ P06280 1/20 0.34
SLC6A4 known ✓ P31645 1/20 0.34
S1PR3 known ✓ Q99500 2/20 0.34
SCN5A known ✓ Q14524 1/20 0.33
SCN10A known ✓ Q9Y5Y9 1/20 0.33
S1PR2 known ✓ O95136 1/20 0.33
S1PR4 known ✓ O95977 1/20 0.33
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PLAU P00749 1/20 0.37
PTK2 Q05397 1/20 0.35
APLNR P35414 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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 SCHEMBL20447630 1.00 ADRB2 (0.45) ADRB2ADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL21358169 1.00 ADRB2 (0.45) ADRB2ADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL20447633 1.00 ADRB2 (0.45) ADRB2ADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL17824208 1.00 ADRB2 (0.45) ADRB2ADRA2AADRA2BADRA2CLMNA
SCHEMBL4337075 0.98 ADRB2 (0.46) ADRB2ADRA2AADRA2BADRA2CLMNA
SCHEMBL4323766 0.98 ADRB2 (0.46) ADRB2ADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL22158846 0.85 ADRB2 (0.44) ADRB2LMNATP53SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL22158848 0.85 ADRB2 (0.44) ADRB2LMNATP53SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL21358242 0.84 ADRA2A (0.38) ADRB2ADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL21358241 0.84 ADRA2A (0.38) ADRB2ADRA2AADRA2BADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
CN-110256418-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2023-01-20 CN disclosed
EP-3587417-B9 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2022-03-30 EP disclosed
EP-3587417-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2022-01-05 EP disclosed
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2021-10-12 US disclosed
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 EP disclosed
CN-107207507-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2020-11-06 CN disclosed
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 US disclosed
US-10472354-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-11-12 US disclosed
US-20190185466-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-06-20 US disclosed
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-02-12 US disclosed
US-10183937-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-01-22 US disclosed
US-10174016-B2 1,3-thiazol-2-yl substituted benzamides BEYER AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
US-20180118731-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
US-20180093980-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2018-04-05 US disclosed
US-20180072713-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2018-03-15 US disclosed
EP-3230281-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES Bayer Aktiengesellschaft (DE) 2017-10-18 EP disclosed
WO-2016091776-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2016-06-16 WO 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 (11 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-20180093980-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-20230053411-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-20180118731-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-20190185466-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-10472354-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-10174016-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-10183937-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-11142523-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-20180072713-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885
US-20200131169-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 ADRB2 1050/4885ADRA2A 1185/4885ADRA2B 1725/4885

“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.