Hydrochloric Acid

Hydrochloric Acid

SCHEMBL44524

Cl.NNC(=O)CCCc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.52

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
HSP90AA1 known ✓ P07900 2/20 0.41
HDAC1 known ✓ Q13547 2/20 0.41
HDAC3 known ✓ O15379 1/20 0.40
HDAC2 known ✓ Q92769 1/20 0.40
HDAC8 known ✓ Q9BY41 1/20 0.40
HDAC6 known ✓ Q9UBN7 1/20 0.40
HDAC5 known ✓ Q9UQL6 1/20 0.40
CACNA1B known ✓ Q00975 1/20 0.38
MGLL Q99685 11/20 0.52
FAAH O00519 5/20 0.52
DDAH1 O94760 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM1A O60341 1/20 0.40
AOC2 O75106 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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 SCHEMBL443354 1.00 MGLL (0.52) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL44044 0.99 MGLL (0.54) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL28390770 0.94 MGLL (0.56) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL13996136 0.84 MGLL (0.57) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL741572 0.83 MGLL (0.59) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL29164209 0.82 MGLL (0.44) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL15811640 0.82 MGLL (0.49) MGLLFAAHPKMALDH1A1
Hydrochloric Acid SCHEMBL15953486 0.82 MGLL (0.37) MGLLFAAHALDH1A1HPGD
Hydrochloric Acid SCHEMBL28737900 0.82 MGLL (0.58) MGLLFAAHDDAH1HSP90AA1NPSR1
Water SCHEMBL17644778 0.82 MGLL (0.58) MGLLFAAHDDAH1HSP90AA1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110054580-A The preparation method of 4- (4-N- maleimide phenyl) butyric acid hydrazides hydrochloride 苏州百灵威超精细材料有限公司 2019-07-26 CN claimed
EP-2675480-B1 METHODS OF PREPARATION OF CONJUGATES IMMUNOGEN INC (US) 2018-12-26 EP claimed
EP-3302531-A1 IMMUNE TOLERANT AND NON-IMMUNE TOLERANT ELASTIN-LIKE RECOMBINANT PEPTIDES AND METHODS OF USE University of Utah Research Foundation (US) 2018-04-11 EP claimed
EP-2494075-B1 TEMPLATED NANOCONJUGATES UNIV NORTHWESTERN (US) 2018-04-04 EP claimed
CN-107750163-A Immunological tolerance and nonimmune tolerance elastin-like recombinant peptide and application method 犹他大学研究基金会 2018-03-02 CN claimed
WO-2016196249-A1 IMMUNE TOLERANT AND NON-IMMUNE TOLERANT ELASTIN-LIKE RECOMBINANT PEPTIDES AND METHODS OF USE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-12-08 WO claimed
US-9353127-B2 Methods of preparation of conjugates IMMUNOGEN, INC. (US) 2016-05-31 US claimed
CN-102666879-B Templated nanometer conjugate NORTHWEST UNIVERSITY (US) 2016-02-24 CN claimed
US-8906354-B2 Loaded latex optical molecular imaging probes containing lipophilic large stokes shift dyes BRUKER BIOSPIN CORPORATION (US) 2014-12-09 US claimed
US-20130183270-A1 Orally Bioavailable Lipid-Based Constructs SDG, INC. (US) 2013-07-18 US claimed
CN-101421323-A Loaded latex optical molecular imaging probes CARESTREAM HEALTH INC (US) 2009-04-29 CN claimed
EP-2004713-A2 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES Carestream Health, Inc. (US) 2008-12-24 EP claimed
EP-1549350-B1 PHARMACEUTICALLY ACTIVE OLIGOSACCHARIDE CONJUGATES FRESENIUS KABI DE GMBH (DE) 2008-09-24 EP claimed
US-20080181965-A1 Loaded latex optical molecular imaging probes QUANTUM MEDICAL HOLDINGS, LLC 2008-07-31 US claimed
WO-2007120579-A2 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2007-10-25 WO claimed
US-20060100163-A1 Pharmaceutically active oligosaccharide conjugates FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2006-05-11 US claimed
US-20030148304-A1 Method for immobilisation KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 US claimed
US-6573245-B1 Conjugate including polysaccharide which binds to cell surface of Antigen Presenting Cell, protein or peptide antigen which elicits immunogenic response when covalently attached to polysaccharide, imine-forming compound GALENICA PHARMACEUTICALS, INC. 2003-06-03 US claimed
EP-1235937-A1 METHOD FOR IMMOBILISATION Karolinska Innovations AB (SE) 2002-09-04 EP claimed
WO-2001042501-A1 METHOD FOR IMMOBILISATION KAROLINSKA INNOVATIONS AB (SE) 2001-06-14 WO 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 (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-20080181965-A1 Loaded latex optical molecular imaging probes MLX, LOXL1, EPX HSP90AA1 4202/4885HDAC1 4181/4885HDAC3 3026/4885
US-20130183270-A1 Orally Bioavailable Lipid-Based Constructs FABP2, FABP1, LIPC HSP90AA1 238/4885HDAC1 4001/4885HDAC3 3495/4885

“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.