Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4804426

O=C(O)CCn1ccccc1=NN=CN=Nc1cccc[n+]1CCC(=O)O.[Cl-]

nearest known ligand 0.33

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 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33

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 SCHEMBL3199735 0.83 POLB (0.30)
SCHEMBL484173 0.82 POLB (0.31)
Hydrochloric Acid SCHEMBL4805980 0.81 ESR1 (0.32) ESR1
Acetic Acid SCHEMBL1152203 0.80
Hydrochloric Acid SCHEMBL4806799 0.80 ESR1 (0.31) ESR1
SCHEMBL5318515 0.79 KDM4E (0.31) ESR1
SCHEMBL839319 0.72 PABPC1 (0.42)
Hydrochloric Acid SCHEMBL1151450 0.66 KDM4E (0.57)
SCHEMBL839889 0.64 KDM4E (0.58)
SCHEMBL4584579 0.64 KDM4E (0.58)

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 23 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-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-2007071684-A2 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND AN AMINO SILICONE 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-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-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
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
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-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-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
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 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 ESR1 4621/4885
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 ESR1 4471/4885
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds KRT18, TUBA4A, TUBB4A ESR1 4587/4885

“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.