SCHEMBL4666246

SCHEMBL4666246

Nc1cccc(Nc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.62
ALOX12 P18054 2/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SCN9A Q15858 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL4814416 0.81 RAB9A (0.68) ROCK1ALOX12HPGDL3MBTL1MEN1
SCHEMBL4665629 0.78 SCN9A (0.61) ROCK1ALOX12HPGDL3MBTL1SCN9A
SCHEMBL15831243 0.77 ROCK1 (1.00) ROCK1ALOX12HPGDL3MBTL1SCN9A
SCHEMBL7346798 0.76 MAPT (0.72) ROCK1ALOX12L3MBTL1SCN9AMEN1
SCHEMBL29466334 0.76 MAPT (0.72) ROCK1ALOX12L3MBTL1SCN9AMEN1
SCHEMBL3889079 0.74 MEN1 (0.62) ROCK1ALOX12HPGDL3MBTL1MEN1
SCHEMBL1702538 0.74 MAPT (0.61) ROCK1ALOX12HPGDL3MBTL1MEN1
SCHEMBL31602178 0.74 KMT2A (0.54) ROCK1ALOX12HPGDL3MBTL1MEN1
SCHEMBL18289622 0.73 HPGD (0.83) ROCK1ALOX12HPGDL3MBTL1MEN1
SCHEMBL18289621 0.73 HPGD (0.83) ROCK1ALOX12HPGDL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982749-B1 Novel hair colouring compositions for use in oxidative hair dyeing PROCTER & GAMBLE (US) 2013-04-17 EP disclosed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP disclosed
EP-1982748-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter & Gamble (US) 2008-10-22 EP disclosed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1855644-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING The Procter and Gamble Company (US) 2007-11-21 EP disclosed
WO-2006099115-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO disclosed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 US 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 (1 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-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing COXFA4L2, TYR, GPX4 ROCK1 4833/4885ALOX12 1724/4885HPGD 322/4885

“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.