Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15062385

Cl.Cl.NCCCC(=O)Nc1ccc(NC(=O)CCCN)cc1

nearest known ligand 0.60

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
HDAC3 known ✓ O15379 7/20 0.53
HDAC1 known ✓ Q13547 7/20 0.53
HDAC2 known ✓ Q92769 7/20 0.53
HDAC6 known ✓ Q9UBN7 6/20 0.53
HDAC10 known ✓ Q969S8 5/20 0.53
HDAC11 known ✓ Q96DB2 4/20 0.53
HDAC8 known ✓ Q9BY41 4/20 0.53
HDAC4 known ✓ P56524 4/20 0.53
HDAC7 known ✓ Q8WUI4 3/20 0.53
HDAC9 known ✓ Q9UKV0 3/20 0.53
HDAC5 known ✓ Q9UQL6 3/20 0.53
CA2 known ✓ P00918 2/20 0.51
LTA4H P09960 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
NCOR2 Q9Y618 2/20 0.51
CA1 P00915 2/20 0.51

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
SCHEMBL15653036 0.90 LTA4H (0.56) LTA4HMEN1KMT2AL3MBTL1HDAC3
SCHEMBL10878251 0.90 HDAC4 (0.63) LTA4HMEN1KMT2AL3MBTL1HDAC3
SCHEMBL27534025 0.89 ALDH1A1 (0.70) LTA4HMEN1KMT2AHDAC3HDAC1
SCHEMBL22786915 0.89 KMT2A (0.63) LTA4HMEN1KMT2AHDAC3HDAC1
SCHEMBL22668092 0.89 HDAC1 (0.70) LTA4HMEN1KMT2AL3MBTL1HDAC3
SCHEMBL7539554 0.88 LTA4H (0.66) LTA4HL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL17444435 0.87 LTA4H (0.57) LTA4HMEN1KMT2AL3MBTL1HDAC3
SCHEMBL27434839 0.86 HDAC3 (0.71) LTA4HMEN1KMT2AL3MBTL1HDAC3
SCHEMBL12211157 0.86 MAPT (0.64) LTA4HALDH1A1
SCHEMBL31245955 0.85 FURIN (0.58) LTA4HMEN1KMT2AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260467-B2 Sialic acid dimers BROSSMER REINHARD (DE) 2016-02-16 US disclosed
US-20150005245-A1 Sialic Acid Dimers BROSSMER REINHARD (DE) 2015-01-01 US disclosed
EP-2797946-A1 SIALIC ACID DIMERS Brossmer, Reinhard (DE) 2014-11-05 EP disclosed
WO-2013097942-A1 SIALIC ACID DIMERS BROSSMER REINHARD (DE) 2013-07-04 WO disclosed
EP-2610263-A1 Sialic acid dimers Brossmer, Reinhard (DE) 2013-07-03 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 (1 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-20150005245-A1 Sialic Acid Dimers SIGLEC9, SIGLEC7, NEU2 HDAC3 2792/4885HDAC1 2436/4885HDAC2 1249/4885

“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.