SCHEMBL3044797

SCHEMBL3044797

CC(O)Nc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HCAR3 P49019 3/20 0.49
DOT1L Q8TEK3 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH3A1 P30838 3/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NSD2 O96028 1/20 0.44
PLCG1 P19174 1/20 0.44
DNMT1 P26358 1/20 0.44
CASP6 P55212 1/20 0.44
BDKRB2 P30411 1/20 0.44
BDKRB1 P46663 1/20 0.44
LMNA P02545 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10502186 0.81 HCAR3 (0.58) ALDH1A1HCAR3HPGDTDP1ALDH3A1
SCHEMBL1888218 0.80 HCAR3 (0.54) ALDH1A1HCAR3ALDH3A1MAPTCRHBP
SCHEMBL6156984 0.80 CRHBP (0.65) ALDH1A1HCAR3HPGDTDP1MAPT
SCHEMBL129286 0.80 HCAR3 (0.52) ALDH1A1HCAR3TDP1MAPTL3MBTL1
SCHEMBL4626839 0.80 TSHR (0.53) ALDH1A1HCAR3GAACRHBPCRHR2
SCHEMBL211067 0.79 ALDH1A1 (0.51) ALDH1A1HCAR3TDP1MAPTGAA
SCHEMBL17846944 0.79 L3MBTL1 (0.54) ALDH1A1HCAR3TDP1MAPTL3MBTL1
SCHEMBL7591545 0.78 MAPT (0.61) ALDH1A1HPGDTDP1ALDH3A1MAPT
SCHEMBL17939430 0.78 KMT2A (0.52) ALDH1A1HCAR3DOT1LTDP1ALDH3A1
SCHEMBL9680216 0.77 ALDH1A1 (0.51) ALDH1A1DOT1LHPGDTDP1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799092-B2 Composition for simultaneously bleaching and dyeing keratin fibers, comprising at least one anionic or nonionic direct dye and at least one associative polymer L'OREAL S.A. (FR) 2010-09-21 US claimed
US-7736395-B2 direct dyes L'OREAL S.A. (FR) 2010-06-15 US claimed
EP-1738800-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2010-06-09 EP claimed
EP-1738801-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2010-06-09 EP claimed
US-20070033744-A1 Anhydrous composition; nonionic or anionic direct dye, associative polymer, peroxygenated salt, and alkaline agent; hair dyes suitable for dark hair; easy to use and can produce chromatic and fast coloration L'OREAL S.A. (FR) 2007-02-15 US claimed
US-20070033743-A1 direct dyes L'OREAL S.A. (FR) 2007-02-15 US claimed
US-20050183212-A1 Compositions for dyeing keratin fibers, comprising at least one alcohol oxidase and at least one direct dye comprising an acid functional group, or a salt thereof, and processes using these compositions L'OREAL S.A. (FR) 2005-08-25 US claimed
EP-0646108-B1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1998-10-14 EP claimed
US-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US claimed
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 EP claimed
EP-0673926-B1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres OREAL (FR) 1997-04-09 EP claimed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 US claimed
WO-2024141614-A1 COMPOSITION COMPRISING AT LEAST N,N-DICARBOXYMETHYLGLUTAMIC ACID, AT LEAST ONE DIRECT DYE, AT LEAST ONE CATIONIC POLYSACCHARIDE, AND AT LEAST ONE NON-CATIONIC POLYSACCHARIDE L'OREAL (FR) 2024-07-04 WO disclosed
WO-2024133696-A1 PROCESS FOR DYEING KERATIN HAIR FIBERS COMPRISING THE APPLICATION OF A (POLY)CARBODIIMIDE COMPOUND, A COMPOUND CONTAINING AT LEAST ONE CARBOXYLIC ACID GROUP, AN AMINO SILICONE AND A COLOURING AGENT. L'OREAL (FR) 2024-06-27 WO disclosed
US-12016946-B2 Process for the treatment of keratin fibers employing a composition comprising at least one alkoxysilane of formula (I), at least one non amino silicone of formula (II) having a weight-average molecular weight of less than or equal to 1500 g/mol and at least one coloring agent L'OREAL (FR) 2024-06-25 US disclosed
US-20240197615-A1 HAIR COLOURING COMPOSITION COMPRISING AT LEAST ONE (POLY)CARBODIIMIDE COMPOUND AND AT LEAST ONE COMPOUND COMPRISING AT LEAST ONE HYDROXYL FUNCTION L'OREAL (FR) 2024-06-20 US disclosed
US-5874618-A REACTING 2-NITRO-PARAPHENYLENEDIAMINES SUBSTITUTED AT 5-POSITION BY HALOGEN ATOM WITH MERCAPTAN DERIVATIVE OR SALT IN A SOLVENT, FURTHER OXIDIZING FOR SULFUR; USEFUL AS HAIR DYE; REDUCED ALLERGIES; WASHING STABILITY L'OREAL (FR) 1999-02-23 US disclosed
US-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US disclosed
US-5735910-A DIRECT HAIR DYES; WASHFASTNESS, COLORFASTNESS L'OREAL (FR) 1998-04-07 US disclosed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 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 (5 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-20070033744-A1 Anhydrous composition; nonionic or anionic direct dye, associative polymer, peroxygenated salt, and alkaline agent; hair dyes suitable for dark hair; easy to use and can produce chromatic and fast coloration KRT18, BRD7, KAT7 ALDH1A1 930/4885HCAR3 3774/4885DOT1L 102/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP ALDH1A1 385/4885HCAR3 3559/4885DOT1L 81/4885
US-20050183212-A1 Compositions for dyeing keratin fibers, comprising at least one alcohol oxidase and at least one direct dye comprising an acid functional group, or a salt thereof, and processes using these compositions KRT18, ADH5, ADH1C ALDH1A1 20/4885HCAR3 3138/4885DOT1L 419/4885
US-12016946-B2 Process for the treatment of keratin fibers employing a composition comprising at least one alkoxysilane of formula (I), at least one non amino silicone of formula (II) having a weight-average molecular weight of less than or equal to 1500 g/mol and at least one coloring agent KRT18, IK, MKI67 ALDH1A1 1888/4885HCAR3 3934/4885DOT1L 588/4885
US-20240197615-A1 HAIR COLOURING COMPOSITION COMPRISING AT LEAST ONE (POLY)CARBODIIMIDE COMPOUND AND AT LEAST ONE COMPOUND COMPRISING AT LEAST ONE HYDROXYL FUNCTION KRT18, PTMA, PRKDC ALDH1A1 480/4885HCAR3 735/4885DOT1L 8/4885

“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.