SCHEMBL945440

SCHEMBL945440

Nc1c(N2CCCCC2)n2n(c1=O)CCC2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL181042 0.98 ALDH1A1 (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL3138710 0.96 KDM4E (0.31) GAAKDM4EMEN1NPC1USP2
SCHEMBL946318 0.74 OPRM1 (0.32)
SCHEMBL13680327 0.73 CHRM3 (0.33)
SCHEMBL945442 0.72 EPHX2 (0.39) GAAEPHX2KDM4EMEN1NPC1
SCHEMBL181356 0.72 KMT2A (0.32) KMT2A
SCHEMBL181119 0.72
SCHEMBL15651890 0.71
SCHEMBL14629439 0.71
SCHEMBL13356461 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1550656-B1 fused 4-5-diamino-n,n-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres OREAL (FR) 2009-05-06 EP 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
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-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler L'OREAL (FR) 2023-08-22 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-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2018-12-27 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-3393445-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2018-10-31 EP 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
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-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
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
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 (9 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 GAA 4696/4885EPHX2 3265/4885KDM4E 1887/4885
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 GAA 1192/4885EPHX2 1893/4885KDM4E 2940/4885
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 GAA 4080/4885EPHX2 2136/4885KDM4E 2956/4885
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 GAA 4201/4885EPHX2 3545/4885KDM4E 1547/4885
US-10137063-B2 Dye composition comprising nonionic guar gum or a nonionic derivative thereof, process and device for the same KRT18, OAT, SHH GAA 1756/4885EPHX2 1131/4885KDM4E 813/4885
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 GAA 4201/4885EPHX2 3545/4885KDM4E 1547/4885
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 GAA 4505/4885EPHX2 3809/4885KDM4E 1001/4885
US-20180369104-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER KRT18, COX5B, COX5A GAA 4856/4885EPHX2 602/4885KDM4E 452/4885
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler KRT18, COX5B, COX5A GAA 4856/4885EPHX2 602/4885KDM4E 452/4885

“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.