SCHEMBL124856

SCHEMBL124856

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

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
ALDH1A1 P00352 1/20 0.70
MAPK1 P28482 5/20 0.63
PKM P14618 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.53
KCNMA1 Q12791 1/20 0.52
AKR1B1 P15121 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
EPAS1 Q99814 1/20 0.50
STAT3 P40763 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL5461147 0.89 MAPT (0.67) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL115470 0.88 MAPT (0.70) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL7823365 0.85 MAPT (0.77) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL7455626 0.85 MAPT (0.66) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL7350226 0.84 MAPT (0.65) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL9030307 0.83 MAPT (0.64) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL116464 0.83 MAPT (0.64) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL8340872 0.82 MAPT (0.62) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL7355650 0.82 MAPT (0.62) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL7823671 0.81 MAPT (0.71) MAPTALDH1A1MAPK1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 US claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
EP-4362906-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362894-A1 COMPOSITION COMPRISING N,N-DICARBOXYMETHYLGLUTAMIC ACID, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AT LEAST ONE POLYOL, AT LEAST ONE ALKALINE AGENT AND OPTIONALLY AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362892-A1 COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AND AT LEAST ONE ALKALINE AGENT L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362895-A1 COMPOSITION COMPRISING PROPANE-1,3-DIOL, AT LEAST ONE ALKANOLAMINE, AT LEAST ONE FATTY SUBSTANCE AND OPTIONALLY AT LEAST ONE POLYOL L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362897-A1 COMPOSITION COMPRISING AT LEAST NONIONIC SURFACTANT, 1,3-PROPANEDIOL, AT LEAST ONE FATTY SUBSTANCE, AT LEAST ONE COLOURING AGENT L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362893-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, N,N-DICARBOXYMETHYLGLUTAMIC ACID, PROPANE-1,3-DIOL, AT LEAST ONE FATTY SUBSTANCE OTHER THAN FATTY ACIDS, AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362896-A1 COMPOSITION COMPRISING N,N-DICARBOXYMETHYLGLUTAMIC ACID, 1,3-PROPANEDIOL, AT LEAST ONE NONIONIC SURFACTANT, AT LEAST ONE ALKALINE AGENT AND/OR AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-1380820-A1 Procedure of determining the composition of a dyeing product L'OREAL S.A. (FR) 2004-01-14 EP disclosed
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-08-14 US disclosed
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-07-31 US disclosed
US-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye L'OREAL S.A. (FR) 2003-06-12 US disclosed
EP-1312343-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL S.A. (FR) 2003-05-21 EP disclosed
EP-1312344-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL (FR) 2003-05-21 EP disclosed
EP-1297819-A2 Composition for dyeing keratinous fibres comprising a cationic azo dye L'OREAL (FR) 2003-04-02 EP 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 (4 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-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye KRT18, TUBB3, TUBB1 MAPT 468/4885ALDH1A1 2065/4885MAPK1 1531/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 MAPT 645/4885ALDH1A1 188/4885MAPK1 852/4885
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone KRT18, TUBB8, TUBA8 MAPT 1587/4885ALDH1A1 1914/4885MAPK1 1038/4885
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone KRT18, TUBB3, TUBA3E MAPT 578/4885ALDH1A1 1615/4885MAPK1 506/4885

“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.