Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3077447

Cl.N=C(NOCCCN1CCCCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

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
HRH3 known ✓ Q9Y5N1 6/20 0.48
GAA known ✓ P10253 1/20 0.43
HTR2A known ✓ P28223 1/20 0.42
HTR2C known ✓ P28335 1/20 0.42
DRD2 known ✓ P14416 1/20 0.40
DRD3 known ✓ P35462 1/20 0.40
CHRM2 known ✓ P08172 1/20 0.40
CHRM4 known ✓ P08173 1/20 0.40
CHRM5 known ✓ P08912 1/20 0.40
CHRM1 known ✓ P11229 1/20 0.40
CHRM3 known ✓ P20309 1/20 0.40
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
LTA4H P09960 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL8480094 0.99 HRH3 (0.48) HRH3POLBLMNAHPGDLTA4H
SCHEMBL3072529 0.86 HRH3 (0.55) HRH3POLBLMNAHPGDLTA4H
Hydrochloric Acid SCHEMBL3059891 0.82 ALDH1A1 (0.53) HRH3KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3055260 0.79 LMNA (0.54) HRH3POLBLMNALTA4HKDM4E
Hydrochloric Acid SCHEMBL3077451 0.78 HRH3 (0.46) HRH3POLBLMNAHPGDLTA4H
SCHEMBL5698972 0.77 POLB (0.53) HRH3POLBLMNALTA4HKDM4E
SCHEMBL27468854 0.77 HRH3 (0.46) HRH3POLBLMNAHPGDLTA4H
Hydrochloric Acid SCHEMBL3071575 0.76 CHRNB2 (0.45) HRH3LTA4HKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL8482881 0.76 HRH3 (0.46) HRH3POLBLMNAHPGDLTA4H
Hydrochloric Acid SCHEMBL7490250 0.75 HRH3 (0.49) HRH3POLBLMNAHPGDLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF CYTRX CORPORATION (US) 2010-10-21 US disclosed
US-7745465-B2 Method of enhancing cellular production of molecular chaperone, hydroxylamine derivatives useful for enhancing the chaperone production and the preparation thereof CYTRX CORPORATION (US) 2010-06-29 US disclosed
US-7148239-B2 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof CYTRX CORPORATION (US) 2006-12-12 US disclosed
US-20040067940-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof BIOREX RESEARCH & DEVELOPMENT CO. 2004-04-08 US disclosed
US-20040019103-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof BIOREX RESEARCH & DEVELOPMENT CO. 2004-01-29 US disclosed
US-6653326-B1 For example, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-3-pyridinecarboximidoyl chloride maleate; inducing gene expression of an eukaryotic cell under physiological stress; antiallergens; autoimmune diseases; cardiovascular disorders BIOREX RESEARCH & DEVELOPMENT CO. (HU) 2003-11-25 US disclosed
EP-0801649-B1 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF BIOREX KUTATO FEJLESZTOE KFT (HU) 2002-08-07 EP disclosed
US-5919796-A ANTIISCHEMIC AGENTS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1999-07-06 US disclosed
EP-0758315-B1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO FEJLESZTOE KFT (HU) 1998-08-26 EP disclosed
EP-0758315-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-02-19 EP disclosed
WO-1995030649-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATÓ ÉS FEJLESZTO^' RT. (HU) 1995-11-16 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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF HSPE1, HSF1, HSP90AB2P HRH3 948/4885GAA 380/4885HTR2A 784/4885
US-20040019103-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof HSPE1, HSF1, HSPA1A HRH3 1348/4885GAA 544/4885HTR2A 768/4885
US-20040067940-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof HSPE1, HSF1, HSPA1A HRH3 1348/4885GAA 544/4885HTR2A 768/4885

“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.