SCHEMBL943590

SCHEMBL943590

Cn1c(=O)c(N)c(N)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.61
PTGS2 P35354 1/20 0.61
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
NAPRT Q6XQN6 2/20 0.46
TSHR P16473 3/20 0.45
CYP1A2 P05177 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL945107 0.85 BCHE (0.71) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL23402694 0.83 BCHE (0.74) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL945083 0.82 BCHE (0.56) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL23398382 0.80 BCHE (0.56) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL23398749 0.79 BCHE (0.54) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL23401048 0.79 BCHE (0.54) BCHEPTGS2ALOX15ALDH1A1LMNA
Ampyrone SCHEMBL11674586 0.76 BCHE (1.00) BCHEPTGS2ALOX15ALDH1A1LMNA
Ampyrone SCHEMBL18159502 0.76 BCHE (1.00) BCHEPTGS2ALOX15ALDH1A1LMNA
Ampyrone SCHEMBL128544 0.76 BCHE (1.00) BCHEPTGS2ALOX15ALDH1A1LMNA
Ampyrone SCHEMBL1830291 0.74 BCHE (0.96) BCHEPTGS2ALOX15ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764082-B1 4-5-diamino-N,N-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres OREAL (FR) 2011-06-29 EP claimed
US-7642360-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2010-01-05 US claimed
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. 2008-03-20 US claimed
US-7285137-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL, S.A. (FR) 2007-10-23 US claimed
EP-1764082-A2 4-5-diamino-N,N-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres L'OREAL (FR) 2007-03-21 EP claimed
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2005-08-04 US claimed
EP-1550656-A1 4-5-diamino-n,n-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres L'OREAL (FR) 2005-07-06 EP claimed
US-10226411-B2 Dyeing composition comprising a fatty substance, a non-ionic guar gum, an amphoteric surfactant and a non-ionic or anionic surfactant, and an oxidizing agent, dyeing process and suitable device L'OREAL (FR) 2019-03-12 US disclosed
US-10226411-B2 Dyeing composition comprising a fatty substance, a non-ionic guar gum, an amphoteric surfactant and a non-ionic or anionic surfactant, and an oxidizing agent, dyeing process and suitable device L'OREAL (FR) 2019-03-12 US disclosed
US-10137063-B2 Dye composition comprising nonionic guar gum or a nonionic derivative thereof, process and device for the same L'OREAL (FR) 2018-11-27 US disclosed
EP-2879651-B1 DYE COMPOSITION COMPRISING NONIONIC GUAR GUM OR A NONIONIC DERIVATIVE THEREOF, PROCESS AND DEVICE FOR THE SAME OREAL (FR) 2018-09-19 EP disclosed
EP-2647409-B1 Composition comprising a modified cellulose derivative, a fatty acid ester and oxidising dyes, dyeing method for oxidation and use L'ORÉAL (FR) 2017-10-04 EP disclosed
EP-2879650-B1 DYEING COMPOSITION COMPRISING A FATTY SUBSTANCE, A NON-IONIC GUAR GUM, AN AMPHOTERIC SURFACTANT AND A NON-IONIC OR ANIONIC SURFACTANT, AND AN OXIDIZING AGENT, DYEING PROCESS AND SUITABLE DEVICE OREAL (FR) 2017-07-26 EP disclosed
US-20060277691-A1 Composition for dyeing keratin fibers, comprising a diamino-N,N-dihydropyrazolone compound, a coupler, and a polyol L'OREAL S.A. (FR) 2006-12-14 US disclosed
US-20060277693-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler and at least one associative polyurethane polymer L'OREAL S.A. (FR) 2006-12-14 US disclosed
US-20060277692-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one surfactant L'OREAL S.A. (FR) 2006-12-14 US disclosed
EP-1728499-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler L'OREAL (FR) 2006-12-06 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2005-08-04 US disclosed
EP-1550656-A1 4-5-diamino-n,n-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres L'OREAL (FR) 2005-07-06 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 (7 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-20060277691-A1 Composition for dyeing keratin fibers, comprising a diamino-N,N-dihydropyrazolone compound, a coupler, and a polyol KRT18, C9, NDUFA10 BCHE 4225/4885PTGS2 4120/4885ALOX15 3743/4885
US-10226411-B2 Dyeing composition comprising a fatty substance, a non-ionic guar gum, an amphoteric surfactant and a non-ionic or anionic surfactant, and an oxidizing agent, dyeing process and suitable device KRT18, OAT, DSG1 BCHE 2477/4885PTGS2 1172/4885ALOX15 403/4885
US-20060277692-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one surfactant KRT18, DSP, DSG1 BCHE 4665/4885PTGS2 3470/4885ALOX15 2941/4885
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 BCHE 4070/4885PTGS2 3947/4885ALOX15 2891/4885
US-10137063-B2 Dye composition comprising nonionic guar gum or a nonionic derivative thereof, process and device for the same KRT18, OAT, SHH BCHE 1746/4885PTGS2 1226/4885ALOX15 1040/4885
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 BCHE 4070/4885PTGS2 3947/4885ALOX15 2891/4885
US-20060277693-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler and at least one associative polyurethane polymer KRT18, PRKDC, DSP BCHE 4408/4885PTGS2 3897/4885ALOX15 3732/4885

“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.