SCHEMBL197978

SCHEMBL197978

O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1NCCO

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.67
ALDH1A1 P00352 4/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 7/20 0.54
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 1/20 0.53
LMNA P02545 4/20 0.50
PRSS1 P07477 2/20 0.49
RAB9A P51151 1/20 0.49
WNK1 Q9H4A3 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL29516580 1.00 PKM (0.67) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL18116062 0.92 MAPT (0.59) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL1958428 0.87 MAPT (0.71) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL10422426 0.87 MAPT (0.56) PKMALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10485197 0.87 PKM (0.65) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL9877924 0.86 PKM (0.64) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL10595984 0.84 LMNA (0.51) PKMALDH1A1TDP1MAPTPOLB
SCHEMBL5455310 0.83 MAPT (0.70) PKMALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL18116066 0.81 LMNA (0.53) PKMALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL8053888 0.80 ALDH1A1 (0.63) PKMALDH1A1TSHRTDP1MAPT

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 348 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
CN-1903161-A Composition for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2007-01-31 CN 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
CN-120035427-A Composition for lightening keratin fibres and method for lightening keratin fibres using said composition 莱雅公司 2025-05-23 CN disclosed
CN-119968189-A Composition for lightening keratin fibres and method for lightening keratin fibres using said composition 莱雅公司 2025-05-09 CN disclosed
CN-119894486-A Composition for lightening keratin fibres and method for lightening keratin fibres using said composition 莱雅公司 2025-04-25 CN 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
US-4619666-A Hair dyes containing amino-nitrobenzoic acid or amino-nitrobenzene sulfonic acids as substantive dyes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-10-28 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-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 PKM 1394/4885ALDH1A1 930/4885TSHR 3126/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP PKM 1116/4885ALDH1A1 385/4885TSHR 4673/4885
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 PKM 785/4885ALDH1A1 20/4885TSHR 4665/4885

“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.