SCHEMBL2947601

SCHEMBL2947601

COc1ccc(Nc2nc(OC)ccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
GAA P10253 6/20 0.50
MAPT P10636 6/20 0.50
RAB9A P51151 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
THRB P10828 2/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MMP14 P50281 1/20 0.47
NPY5R Q15761 1/20 0.47
DHFR P00374 1/20 0.46
TYMS P04818 1/20 0.46

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
SCHEMBL6811822 0.86 ALDH1A1 (0.45) NR4A1GAAMAPTTHRBRECQL
SCHEMBL2267169 0.85 NPY5R (0.44) MAPTL3MBTL1MEN1KMT2AHTT
SCHEMBL1625466 0.80 CDK1 (0.39) NR4A1
SCHEMBL20703961 0.77 APP (0.56) GAAMAPTRAB9AL3MBTL1NPC1
SCHEMBL7012481 0.76 EGFR (0.36) MEN1KMT2ANPY5RDHFRTYMS
SCHEMBL29378197 0.75 SIRT2 (0.41) RAB9AKDM4ETDP1NPC1MAPK1
SCHEMBL95212 0.75 SIRT2 (0.41) RAB9AKDM4ETDP1NPC1MAPK1
SCHEMBL9794374 0.75 GAA (0.53) GAAMAPTRAB9AL3MBTL1KDM4E
SCHEMBL29384795 0.74 RAB9A (0.61) NR4A1GAAMAPTRAB9AL3MBTL1
SCHEMBL35262 0.74 RAB9A (0.61) NR4A1GAAMAPTRAB9AL3MBTL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728499-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler OREAL (FR) 2010-01-06 EP claimed
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 claimed
US-6733539-B2 HAIR DYES L'OREAL S.A. (FR) 2004-05-11 US claimed
US-20020170122-A9 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods L'OREAL S.A. (FR) 2002-11-21 US claimed
US-20020013973-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods PLOS GREGORY (FR) 2002-02-07 US claimed
EP-1138318-A2 Composition for oxidative dyeing of keratinous fibres and dyeing process using same L'OREAL (FR) 2001-10-04 EP claimed
US-6733539-B2 HAIR DYES L'OREAL S.A. (FR) 2004-05-11 US disclosed
US-20020170122-A9 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods L'OREAL S.A. (FR) 2002-11-21 US disclosed
US-20020013973-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods PLOS GREGORY (FR) 2002-02-07 US disclosed
EP-1138318-A2 Composition for oxidative dyeing of keratinous fibres and dyeing process using same L'OREAL (FR) 2001-10-04 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 (2 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-20020013973-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods KRT18, PPOX, AOX1 NR4A1 2955/4885GAA 1324/4885MAPT 856/4885
US-20020170122-A9 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods KRT18, PPOX, AOX1 NR4A1 2955/4885GAA 1324/4885MAPT 856/4885

“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.