Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1379494

Cl.Cn1nnnc1-c1ccc(-c2ccc(N3C[C@H](COC(=O)CN)OC3=O)cc2F)cn1

nearest known ligand 0.58

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 6)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 12/20 0.58
MAOB known ✓ P27338 1/20 0.58
CALML3 P27482 5/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL1985755 0.99 MAOA (0.59) MAOAMAOBCALML3CYP3A4CYP2C19
Trifluoroacetic Acid SCHEMBL1380054 0.95 MAOA (0.55) MAOAMAOBCALML3CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL1381090 0.95 MAOA (0.57) MAOAMAOBCALML3CYP3A4CYP2C19
SCHEMBL1985144 0.94 MAOA (0.58) MAOAMAOBCALML3CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4598896 0.93 MAOA (0.57) MAOAMAOBCALML3CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL1382355 0.91 MAOA (0.57) MAOAMAOBCALML3CYP3A4CYP2C19
Trifluoroacetic Acid SCHEMBL1381655 0.90 MAOA (0.54) MAOAMAOBCALML3CYP3A4CYP2C19
SCHEMBL13089937 0.90 MAOA (0.58) MAOAMAOBCALML3CYP3A4CYP2C19
SCHEMBL12605125 0.90 MAOA (0.58) MAOAMAOBCALML3CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL1382270 0.89 MAOA (0.56) MAOAMAOBCALML3CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4739229-B2 2011-08-03 JP claimed
EP-1699784-B1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A PHARM CO LTD (KR) 2011-06-29 EP claimed
US-7816379-B2 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2010-10-19 US claimed
US-20090192197-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes Torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2009-07-30 US claimed
EP-1699784-A4 NOVEL OXAZOLIDINONE DERIVATIVES DONG A PHARM CO LTD (KR) 2008-09-03 EP claimed
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. 2007-07-05 US claimed
EP-1699784-A1 NOVEL OXAZOLIDINONE DERIVATIVES Dong-A Pharmaceutical Co., Ltd. (KR) 2006-09-13 EP claimed
WO-2005058886-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2005-06-30 WO claimed
US-20210121449-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2021-04-29 US disclosed
US-20200078345-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2020-03-12 US disclosed
US-20180344716-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2018-12-06 US disclosed
US-20170333414-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2017-11-23 US disclosed
US-20170049763-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2017-02-23 US disclosed
US-9163043-B2 Oxazolidinone derivatives DONG-A ST CO., LTD. (KR) 2015-10-20 US disclosed
US-7816379-B2 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2010-10-19 US disclosed
US-20090192197-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes Torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2009-07-30 US disclosed
EP-1699784-A4 NOVEL OXAZOLIDINONE DERIVATIVES DONG A PHARM CO LTD (KR) 2008-09-03 EP disclosed
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. 2007-07-05 US disclosed
EP-1699784-A1 NOVEL OXAZOLIDINONE DERIVATIVES Dong-A Pharmaceutical Co., Ltd. (KR) 2006-09-13 EP disclosed
WO-2005058886-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2005-06-30 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 (7 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-20170049763-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI MAOA 2505/4885MAOB 1905/4885CALML3 3337/4885
US-20210121449-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI MAOA 2505/4885MAOB 1905/4885CALML3 3337/4885
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate ALPI, SI, TST MAOA 4398/4885MAOB 4248/4885CALML3 1992/4885
US-20200078345-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI MAOA 2505/4885MAOB 1905/4885CALML3 3337/4885
US-20090192197-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes Torezolid phosphate ALPI, TPI1, SI MAOA 3819/4885MAOB 3591/4885CALML3 2192/4885
US-20170333414-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI MAOA 2505/4885MAOB 1905/4885CALML3 3337/4885
US-20180344716-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI MAOA 2505/4885MAOB 1905/4885CALML3 3337/4885

“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.