SCHEMBL1435815

SCHEMBL1435815

CNc1ccc(/N=C2\C=C(C)C(=O)C=C2NC(N)=O)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL1435819 1.00 KDM4E (0.33) KDM4EALDH1A1GLAGAACA1
SCHEMBL11256805 0.87 KDM4E (0.33) KDM4EALDH1A1GLAGAACA1
SCHEMBL13525233 0.85 CYP1A2 (0.41) KDM4EALDH1A1
SCHEMBL13525226 0.78 PGK1 (0.37) KDM4EALDH1A1GAACA1CA2
SCHEMBL13525211 0.78 HTT (0.33) ALDH1A1
SCHEMBL13525237 0.74 PABPC1 (0.32) —
SCHEMBL11410525 0.74 ABCB11 (0.31) ALDH1A1
SCHEMBL13525239 0.73 CA1 (0.38) KDM4EALDH1A1CA1CA2CA9
SCHEMBL13525218 0.70 CYP1A2 (0.36) KDM4EALDH1A1
SCHEMBL7593877 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2355904-B1 HAIR CONDITIONING COMPOSITION COMPRISING CATIONIC SURFACTANT SYSTEM AND DIRECT DYE PROCTER & GAMBLE (US) 2017-01-04 — — EP disclosed
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 — — US disclosed
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 — — US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 — — US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 — — US disclosed
US-9289630-B2 Hair conditioning composition comprising cationic surfactant system, direct dye, and nonionic thickener THE PROCTER & GAMBLE COMPANY (US) 2016-03-22 — — US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 — — US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 — — US disclosed
US-9161898-B2 Compositions for colouring keratin fibres HENKEL AG & CO. KGAA (DE) 2015-10-20 — — US disclosed
US-9126057-B2 Hair conditioning composition comprising cationic surfactant system and direct dye THE PROCTER & GAMBLE COMPANY (US) 2015-09-08 — — US disclosed
WO-2006107595-A1 REDUCTIVE COLORANT FOR KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-10-12 — — WO disclosed
EP-1707188-A1 Reductive colouring system for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 — — EP disclosed
EP-1707187-A1 Reductive colorant for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 — — EP disclosed
WO-2006081246-A2 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 — — WO disclosed
US-20060140892-A1 Method for generation of memory effects on hair LENDLEIN ANDREAS 2006-06-29 — — US disclosed
US-20060088494-A1 Method of treating hair with form memory polymers MNEMOSCIENCE GMBH (DE) 2006-04-27 — — US disclosed
US-20050226838-A1 Hair treatment compositions containing N-hydroxy-alkyl-O-benzyl chitosans and methods of using same WELLA AG (DE) 2005-10-13 — — US disclosed
US-20040228809-A1 A container is filled with a mixture of a cationic cellulose derivative (Polyquaternium), chitosans, one acid for neutralizing, a solvent, pumping with or without a propellant; film-forming nonionic polymer improves hair fixing properties, nondepositing; hair dyes Wella GmbH (DE) 2004-11-18 — — US disclosed
US-20040037786-A1 Aerosol foam product for hair treatment WELLA AKTIENGESELLSCHAFT (DE) 2004-02-26 — — US disclosed
US-20030215479-A1 Process for manufacture of hair or skin cosmetic products using apparatuses with microstructured units WELLA AKTIENGESELLSCHART (DE) 2003-11-20 — — 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 (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-20050226838-A1 Hair treatment compositions containing N-hydroxy-alkyl-O-benzyl chitosans and methods of using same CYP8B1, HAAO, TYR KDM4E 669/4885ALDH1A1 1251/4885GLA 401/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KDM4E 2691/4885ALDH1A1 192/4885GLA 26/4885

“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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