Hydrochloric Acid

Hydrochloric Acid

SCHEMBL594558

CC1=C(C)C(=O)C(Cc2cccnc2)=C(C)C1=O.Cl

nearest known ligand 0.73

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 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 known ✓ Q9Y5N1 1/20 0.41
▸ TBXAS1 P24557 8/20 0.73
▸ POLB P06746 1/20 0.43
▸ CHRNB2 P17787 3/20 0.42
▸ CHRNA4 P43681 3/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29747247 0.98 TBXAS1 (0.75) TBXAS1POLBCHRNB2CHRNA4HRH4
SCHEMBL2715544 0.98 TBXAS1 (0.75) TBXAS1POLBCHRNB2CHRNA4HRH4
SCHEMBL24844947 0.84 TBXAS1 (1.00) TBXAS1TDP1L3MBTL1
SCHEMBL10728648 0.84 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA4HRH4HRH3
SCHEMBL16067092 0.83 TBXAS1 (0.68) TBXAS1POLBCHRNB2CHRNA4HRH4
SCHEMBL3040732 0.77 TBXAS1 (0.50) TBXAS1CYP1A2TDP1L3MBTL1
SCHEMBL28772279 0.73 TBXAS1 (0.55) TBXAS1CHRNB2CHRNA4HRH4HRH3
SCHEMBL1658826 0.72 FES (0.61) POLBL3MBTL1
SCHEMBL727185 0.72 CYP1A2 (0.62) TBXAS1CHRNB2CHRNA4HRH4HRH3
Hydrochloric Acid SCHEMBL10665044 0.69 TBXAS1 (0.64) TBXAS1HRH4HRH3NAPRTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012047664-A1 ANTI-PECAM THERAPY, COMPOSITIONS, METHODS, AND USES SUTTER WEST BAY HOSPITAL D/B/A CALIFORNIA PACIFIC MEDICAL CENTER (US) 2012-04-12 — — WO claimed
US-20120076795-A1 Anti-PECAM Therapy, Compositions, Methods, and Uses Sutter West Bay Hospitals D/B/A California Pacific Medical Center (US) 2012-03-29 — — US claimed
US-6133278-A PREVENTION AND THERAPY OF CACHEXIA ASSOCIATED WITH CHRONIC DISEASES SUCH AS MALIGNANT TUMOR, TUBERCULOSIS, DIABETES, HEMODYSCRASIA AND ENDOCRINOPATHY, AND AIDS INVOLVING PROGRESSIVE LOSS OF BODY WEIGHT, ANEMIA, EDEMA AND ANOREXIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-17 — — US claimed
EP-0774967-A1 USE OF QUINONE AND HYDROQUINONE DERIVATIVES FOR THE TEATMENT OF CACHEXIA Takeda Chemical Industries, Ltd. (JP) 1997-05-28 — — EP claimed
WO-1996004909-A1 USE OF QUINONE AND HYDROQUINONE DERIVATIVES FOR THE TEATMENT OF CACHEXIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 — — WO claimed
US-5106858-A For disfunction of heart, brain, lung or kidney TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 — — US claimed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 — — EP claimed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 — — EP claimed
US-10954271-B2 Anti-microbial peptides TENSIVE CONTROLS, INC. (US) 2021-03-23 — — US disclosed
EP-3194422-B1 ANTI-MICROBIAL PEPTIDES TENSIVE CONTROLS INC (US) 2020-04-29 — — EP disclosed
US-20200109171-A1 ANTI-MICROBIAL PEPTIDES ENDEVICA BIO, INC. 2020-04-09 — — US disclosed
EP-3194422-A1 ANTI-MICROBIAL PEPTIDES Tensive Controls Inc. (US) 2017-07-26 — — EP disclosed
US-20170081383-A1 MELANOCORTIN ANALOGS HAVING ENHANCED ACTIVITY AND TRANSPORT ENDEVICA BIO, INC. 2017-03-23 — — US disclosed
US-9534018-B2 Melanocortin analogs having enhanced activity and transport TENSIVE CONTROLS INC. (US) 2017-01-03 — — US disclosed
WO-2006014559-A2 CYCLIC PEPTIDES FOR TREATMENT OF CACHEXIA PALATIN TECHNOLOGIES, INC. (US) 2006-02-09 — — WO disclosed
US-20060014676-A1 Cyclic peptides for treatment of cachexia PALATIN TECHNOLOGIES, INC. (US) 2006-01-19 — — US disclosed
US-20060014194-A1 Melanocortin receptor-specific hexapeptides PALATIN TECHNOLOGIES, INC. (US) 2006-01-19 — — US disclosed
US-6133278-A PREVENTION AND THERAPY OF CACHEXIA ASSOCIATED WITH CHRONIC DISEASES SUCH AS MALIGNANT TUMOR, TUBERCULOSIS, DIABETES, HEMODYSCRASIA AND ENDOCRINOPATHY, AND AIDS INVOLVING PROGRESSIVE LOSS OF BODY WEIGHT, ANEMIA, EDEMA AND ANOREXIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-17 — — US disclosed
EP-0774967-A1 USE OF QUINONE AND HYDROQUINONE DERIVATIVES FOR THE TEATMENT OF CACHEXIA Takeda Chemical Industries, Ltd. (JP) 1997-05-28 — — EP disclosed
WO-1996004909-A1 USE OF QUINONE AND HYDROQUINONE DERIVATIVES FOR THE TEATMENT OF CACHEXIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 — — 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 (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-20060014194-A1 Melanocortin receptor-specific hexapeptides MC4R, MC3R, MC1R HRH3 259/4885TBXAS1 2245/4885POLB 3143/4885
US-20060014676-A1 Cyclic peptides for treatment of cachexia MC4R, MC3R, MC5R HRH3 238/4885TBXAS1 2334/4885POLB 3246/4885

“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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