SCHEMBL944869

SCHEMBL944869

Cn1c(N2CCCC2)c(N)c(=O)n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.32
HRH4 Q9H3N8 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LRRK2 Q5S007 1/20 0.30
AGTR1 P30556 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL945442 0.98 EPHX2 (0.39) EPHX2KMT2AALDH1A1MEN1HRH4
SCHEMBL18975358 0.71 MAP4K4 (0.37) HRH4
SCHEMBL181042 0.71 ALDH1A1 (0.30) ALDH1A1AGTR1
SCHEMBL33782 0.71 ALDH1A1 (0.32) EPHX2ALDH1A1
SCHEMBL946965 0.69 MEN1 (0.35) KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL3932856 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL945440 0.69 GAA (0.32) EPHX2KMT2AALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL3138710 0.69 KDM4E (0.31) KMT2AALDH1A1MEN1MAPTALOX15
SCHEMBL944076 0.68 MEN1 (0.38) EPHX2KMT2AALDH1A1MEN1MAPT
SCHEMBL33658 0.64 BCHE (0.33) KMT2A

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 82 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-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
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
EP-1733713-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone dervative, a coupling agent and a selected surface-active agent L'OREAL (FR) 2006-12-20 EP disclosed
EP-1733714-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a polyol L'OREAL (FR) 2006-12-20 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
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 EPHX2 3265/4885KMT2A 2291/4885ALDH1A1 635/4885
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 EPHX2 1893/4885KMT2A 2584/4885ALDH1A1 524/4885
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 EPHX2 2136/4885KMT2A 2918/4885ALDH1A1 802/4885
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 EPHX2 3545/4885KMT2A 2286/4885ALDH1A1 293/4885
US-10137063-B2 Dye composition comprising nonionic guar gum or a nonionic derivative thereof, process and device for the same KRT18, OAT, SHH EPHX2 1131/4885KMT2A 1843/4885ALDH1A1 626/4885
US-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 EPHX2 3545/4885KMT2A 2286/4885ALDH1A1 293/4885
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 EPHX2 3809/4885KMT2A 1211/4885ALDH1A1 260/4885

“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.