Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1176889

CC(=O)NCC1CN(c2ccc(-c3ccncc3)cn2)C(=O)O1.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 10)

geneUniProtsupporting neighboursconfidence
▸ MAOA known ✓ P21397 5/20 0.43
▸ MAOB known ✓ P27338 2/20 0.43
▸ PTGS1 known ✓ P23219 1/20 0.43
▸ KCNH2 known ✓ Q12809 2/20 0.41
▸ ABCB11 O95342 1/20 0.45
▸ CALML3 P27482 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SDHA P31040 1/20 0.43
▸ CETP P11597 4/20 0.42
▸ F10 P00742 3/20 0.42

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 SCHEMBL1176888 1.00 ABCB11 (0.45) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL5707296 0.99 ABCB11 (0.45) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL5707298 0.99 ABCB11 (0.45) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL8703285 0.90 MAOA (0.46) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL8871678 0.90 MAOA (0.46) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL9028107 0.87 ABCB11 (0.44) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL8871159 0.85 F10 (0.52) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL8701633 0.85 F10 (0.52) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL8489161 0.85 MAOA (0.55) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL8489164 0.85 MAOA (0.55) ABCB11MAOAMAOBCALML3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7892574-B2 In situ applying oxazolidinone to ear, skins PHARMACIA & UPJOHN COMPANY, LLC (US) 2011-02-22 — — US claimed
US-7128928-B2 Ophthalmic formulation with novel gum composition PHARMACIA CORPORATION (US) 2006-10-31 — — US claimed
EP-1471890-B1 PHARMACEUTICAL DOSAGE FORM FOR MUCOSAL DELIVERY PHARMACIA CORP (US) 2006-09-27 — — EP claimed
WO-2006059221-A2 TOPICAL HYDRO-ALCOHOLIC FORMULATIONS OF OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-06-08 — — WO claimed
US-6989381-B2 Solution composition of an oxazolidinone antibiotic drug having enhanced drug loading PHARMACIA CORPORATION (US) 2006-01-24 — — US claimed
EP-1610764-A1 TASTE-MASKING VEHICLE FOR COATED OXAZOLIDINONE PARTICLES Pharmacia Corporation (US) 2006-01-04 — — EP claimed
EP-1311296-B1 SOLUTION OF AN OXAZOLIDINONE ANTIBIOTIC DRUG PHARMACIA CORP (US) 2005-12-14 — — EP claimed
EP-1096934-B1 OXAZOLIDINONES TO TREAT EYE INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2005-09-21 — — EP claimed
EP-1478404-A1 OPHTHALMIC ANTIBIOTIC DRUG FORMULATIONS CONTAINING A CYCLODEXTRIN COMPOUND AND CETYL PYRIDINIUM CHLORIDE Pharmacia Corporation (US) 2004-11-24 — — EP claimed
EP-1476135-A1 OPHTHALMIC FORMULATION WITH GUM SYSTEM Pharmacia Corporation (US) 2004-11-17 — — EP claimed
EP-1311296-A2 SOLUTION OF AN OXAZOLIDINONE ANTIBIOTIC DRUG Pharmacia Corporation (US) 2003-05-21 — — EP claimed
US-6551584-B2 Oxazolidinone antibacterial drug, for example linezolid, in a concentration effective for treatment or prophylaxis of a grampositive bacterial infection of an eye PHARMACIA & UPJOHN COMPANY 2003-04-22 — — US claimed
US-20030027790-A1 Preservative free ophthalmic oxazolidinone antibiotic drug delivery systems PHARMACIA CORPORATION 2003-02-06 — — US claimed
US-20020107238-A1 Topical antibiotic composition for treatment of eye infection PHARMACIA & UPJOHN COMPANY 2002-08-08 — — US claimed
EP-1083900-B1 USE OF OF OXAZOLIDINONES FOR THE PREPARATION OF A MEDICAMENT FOR TRANSDERMAL DELIVERY UPJOHN CO (US) 2002-07-17 — — EP claimed
US-20020068720-A1 Solution composition of an oxazolidinone antibiotic drug having enhanced drug loading PHARMACIA CORPORATION 2002-06-06 — — US claimed
US-20020065280-A1 Oxazolidinones to treat eye infections COCHRAN ROBERT J (US) 2002-05-30 — — US claimed
WO-2002030395-A1 TOPICAL ANTIBIOTIC COMPOSITION FOR TREATMENT OF EYE INFECTION PHARMACIA & UPJOHN COMPANY (US) 2002-04-18 — — WO claimed
WO-2002015940-A2 SOLUTION OF AN OXAZOLIDINONE ANTIBIOTIC DRUG PHARMACIA CORPORATION (US) 2002-02-28 — — WO claimed
US-20020009483-A1 TOPICAL ADMINISTRATION OF OXAZOLIDINONES FOR TRANSDERMAL DELIVERY PHARMACIA & UPJOHN COMPANY 2002-01-24 — — US claimed

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-20030027790-A1 Preservative free ophthalmic oxazolidinone antibiotic drug delivery systems PDCD2L, TBCD, OXA1L MAOA 4089/4885MAOB 4340/4885PTGS1 3102/4885
US-20020107238-A1 Topical antibiotic composition for treatment of eye infection CUTA, DEK, LPXN MAOA 1172/4885MAOB 1818/4885PTGS1 2187/4885
US-20020068720-A1 Solution composition of an oxazolidinone antibiotic drug having enhanced drug loading ABCB11, SLC47A1, TBCD MAOA 3908/4885MAOB 3598/4885PTGS1 3767/4885

“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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