SCHEMBL2940833

SCHEMBL2940833

Nc1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.69
▸ SUMO2 P61956 4/20 0.60
▸ SUMO1 P63165 4/20 0.60
▸ SENP7 Q9BQF6 4/20 0.60
▸ SENP2 Q9HC62 4/20 0.60
▸ ATIC P31939 3/20 0.60
▸ CTRB1 P17538 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ APP P05067 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ SNCA P37840 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ENPP2 Q13822 1/20 0.51

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
SCHEMBL2987080 0.99 CYP1A2 (0.71) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL29377176 0.97 CYP1A2 (0.69) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL2940832 0.87 THRB (0.56) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL31496840 0.85 SENP2 (0.55) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL3915968 0.82 SENP2 (0.71) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL4898001 0.82 SENP2 (0.71) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL14025002 0.81 CYP1A2 (0.64) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL6654290 0.80 CTRB1 (0.82) CYP1A2ATICCTRB1MEN1BLM
SCHEMBL28747674 0.79 CYP1A2 (0.59) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL29702447 0.79 CYP1A2 (0.59) CYP1A2SUMO2SUMO1SENP7SENP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5865856-A MIXTURE CONTAINING COUPLER AND DEVELOPER WELLA AKTIENGESELLSCHAFT (DE) 1999-02-02 — — US claimed
US-5766576-A NONTOXIC DYE DEVELOPER; WASHFASTNESS, COLORFASTNESS, RED COLOR INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 1998-06-16 — — US claimed
US-5645610-A COUPLER, DEVELOPER WELLA AKTIENGESELLSCHAFT (DE) 1997-07-08 — — US claimed
US-5534267-A Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis WELLA AKTIENGESELLSCHAFT (DE) 1996-07-09 — — US claimed
US-5480459-A Oxidative hair dye based on a creamlike carrier composition as well as process for the dyeing of hair WELLA AKTIENGESELLSCHAFT (DE) 1996-01-02 — — US claimed
US-5468256-A Solvent, anionic, cationic or nonionic surfactant with monoazo dye WELLA AKTIENGESELLSCHAFT (DE) 1995-11-21 — — US claimed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 — — US claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 — — EP disclosed
US-7641702-B2 O-Aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2010-01-05 — — US disclosed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 — — US disclosed
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-02 — — US disclosed
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 — — EP disclosed
US-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-07-26 — — US disclosed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 — — US disclosed
US-5865856-A MIXTURE CONTAINING COUPLER AND DEVELOPER WELLA AKTIENGESELLSCHAFT (DE) 1999-02-02 — — US disclosed
US-5766576-A NONTOXIC DYE DEVELOPER; WASHFASTNESS, COLORFASTNESS, RED COLOR INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 1998-06-16 — — US disclosed
US-5645610-A COUPLER, DEVELOPER WELLA AKTIENGESELLSCHAFT (DE) 1997-07-08 — — US disclosed
US-5637115-A Oxidation hair dye compositions containing developers, couplers, and AZO dyes WELLA AKTIENGESELLSCHAT (DE) 1997-06-10 — — US disclosed
US-5534267-A Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis WELLA AKTIENGESELLSCHAFT (DE) 1996-07-09 — — US disclosed
US-5480459-A Oxidative hair dye based on a creamlike carrier composition as well as process for the dyeing of hair WELLA AKTIENGESELLSCHAFT (DE) 1996-01-02 — — 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-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds KRT18, DSP, DSG1 CYP1A2 1668/4885SUMO2 4337/4885SUMO1 4095/4885
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds CBR3, KRT18, F12 CYP1A2 1372/4885SUMO2 2051/4885SUMO1 1573/4885

“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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