Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4807029

Cn1ccccc1=NN=C(N=Nc1cccc[n+]1C)c1ccccc1.[Cl-]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
PABPC1 P11940 1/20 0.52
APOBEC3A P31941 1/20 0.52
RAB9A P51151 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52

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
SCHEMBL5198678 0.99 KDM4E (0.53) KDM4ENPC1PABPC1APOBEC3ARAB9A
Hydrochloric Acid SCHEMBL29565890 0.84 KDM4E (0.56) KDM4ENPC1PABPC1APOBEC3ARAB9A
Hydrochloric Acid SCHEMBL1151667 0.84 KDM4E (0.56) KDM4ENPC1PABPC1APOBEC3ARAB9A
Hydrochloric Acid SCHEMBL1151664 0.84 KDM4E (0.56) KDM4ENPC1PABPC1APOBEC3ARAB9A
Hydrochloric Acid SCHEMBL4810491 0.84 KDM4E (0.40) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL3401541 0.83 KDM4E (0.57) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL483710 0.83 KDM4E (0.57) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL5196531 0.82 KDM4E (0.41) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL14104353 0.82 KDM4E (0.48) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL10061212 0.82 KDM4E (0.46) KDM4ENPC1PABPC1APOBEC3ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399320-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-07-15 US claimed
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-04-24 US claimed
EP-1548006-B1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis OREAL (FR) 2007-09-05 EP claimed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071689-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071683-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND A NONIONIC SURFACTANT L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071685-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE L'ORÉAL (FR) 2007-06-28 WO claimed
US-20050198744-A1 Applying 2-[5-(N-methyl-2-pyridinylidene)-1-formazano]-N-methylpyridinium chloride and an oxidizing agent, developing the desired coloration L'OREAL S.A. (FR) 2005-09-15 US claimed
US-20050028300-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds L'OREAL (FR) 2005-02-10 US claimed
US-7399320-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-07-15 US disclosed
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-04-24 US disclosed
US-7311736-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2007-12-25 US disclosed
US-7288120-B2 Synthesis of tetraazapentamethine compounds, and processes for dyeing keratin fibers using this synthesis L'OREAL S.A. (FR) 2007-10-30 US disclosed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO disclosed
WO-2007071689-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE L'ORÉAL (FR) 2007-06-28 WO disclosed
WO-2007071683-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND A NONIONIC SURFACTANT L'ORÉAL (FR) 2007-06-28 WO disclosed
WO-2007071684-A2 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND AN AMINO SILICONE L'ORÉAL (FR) 2007-06-28 WO disclosed
US-20050198744-A1 Applying 2-[5-(N-methyl-2-pyridinylidene)-1-formazano]-N-methylpyridinium chloride and an oxidizing agent, developing the desired coloration L'OREAL S.A. (FR) 2005-09-15 US disclosed
US-20050028300-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds L'OREAL (FR) 2005-02-10 US 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-20050028300-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds KRT18, TET1, DNMT1 KDM4E 237/4885NPC1 4628/4885PABPC1 3468/4885
US-20050198744-A1 Applying 2-[5-(N-methyl-2-pyridinylidene)-1-formazano]-N-methylpyridinium chloride and an oxidizing agent, developing the desired coloration KRT18, TPM4, AZI2 KDM4E 407/4885NPC1 4861/4885PABPC1 2982/4885
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds KRT18, TUBA4A, TUBB4A KDM4E 154/4885NPC1 4393/4885PABPC1 2660/4885

“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.