Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19973351

Cl.NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.55

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 2/20 0.48
HDAC1 known ✓ Q13547 2/20 0.48
HDAC2 known ✓ Q92769 2/20 0.48
HDAC10 known ✓ Q969S8 2/20 0.48
HDAC11 known ✓ Q96DB2 2/20 0.48
HDAC8 known ✓ Q9BY41 2/20 0.48
HDAC6 known ✓ Q9UBN7 2/20 0.48
HDAC4 known ✓ P56524 1/20 0.46
HDAC7 known ✓ Q8WUI4 1/20 0.46
HDAC9 known ✓ Q9UKV0 1/20 0.46
HDAC5 known ✓ Q9UQL6 1/20 0.46
EPHX2 P34913 1/20 0.55
MMP2 P08253 1/20 0.52
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48

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 SCHEMBL18703895 1.00 EPHX2 (0.55) EPHX2MMP2HDAC3HDAC1HDAC2
SCHEMBL17599911 0.99 EPHX2 (0.56) EPHX2MMP2HDAC3HDAC1HDAC2
SCHEMBL18703881 0.99 EPHX2 (0.56) EPHX2MMP2HDAC3HDAC1HDAC2
SCHEMBL7452946 0.99 EPHX2 (0.56) EPHX2MMP2HDAC3HDAC1HDAC2
SCHEMBL17767806 0.92 EPHX2 (0.61) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL17767811 0.92 EPHX2 (0.61) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL7301925 0.91 MMP2 (0.52) EPHX2MMP2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL23748118 0.88 HDAC3 (0.49) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL28090584 0.88 EPHX2 (0.58) EPHX2HDAC3HDAC1HDAC2HDAC10
Hydrochloric Acid SCHEMBL21373253 0.88 ALDH1A1 (0.54) EPHX2MMP2LMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014966-B2 Compounds and therapeutics uses thereof CENTUARI THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed
US-20210085798-A1 IMMUNITY LINKER MOLECULES AND THEIR USE IN THE TREATMENT OF INFECTIOUS DISEASES CENTAURI THERAPEUTICS LIMITED (GB) 2021-03-25 US disclosed
EP-3765155-A1 IMMUNITY LINKER MOLECULES AND THEIR USE IN THE TREATMENT OF INFECTIOUS DISEASES Centauri Therapeutics Limited (GB) 2021-01-20 EP disclosed
EP-3512544-B1 PEPTIDE COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LTD (GB) 2020-10-28 EP disclosed
WO-2019175590-A1 IMMUNITY LINKER MOLECULES AND THEIR USE IN THE TREATMENT OF INFECTIOUS DISEASES CENTAURI THERAPEUTICS LIMITED (GB) 2019-09-19 WO disclosed
US-20190248838-A1 NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2019-08-15 US disclosed
EP-3512544-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB) 2019-07-24 EP disclosed
WO-2018051085-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2018-03-22 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 (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-20190248838-A1 NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF MAVS, MYD88, CD47 HDAC3 2490/4885HDAC1 2536/4885HDAC2 2537/4885
US-11014966-B2 Compounds and therapeutics uses thereof MYD88, MAVS, CD47 HDAC3 2474/4885HDAC1 2666/4885HDAC2 2633/4885
US-20210085798-A1 IMMUNITY LINKER MOLECULES AND THEIR USE IN THE TREATMENT OF INFECTIOUS DISEASES MYD88, MAVS, TLR3 HDAC3 2228/4885HDAC1 2613/4885HDAC2 2042/4885

“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.