SCHEMBL4665629

SCHEMBL4665629

Nc1ccc(Nc2cccc(N)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.61
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
RAB9A P51151 3/20 0.52
ALPG P10696 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
RAD52 P43351 1/20 0.45
KDM1A O60341 1/20 0.44
TP53 P04637 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL7346798 0.86 MAPT (0.72) SCN9AMAPTMEN1KMT2AKDM4E
SCHEMBL29466334 0.86 MAPT (0.72) SCN9AMAPTMEN1KMT2AKDM4E
SCHEMBL9878020 0.83 SCN9A (0.53) SCN9AMAPTMEN1KMT2AKDM4E
SCHEMBL24011004 0.82 SCN9A (0.55) SCN9AMAPTMEN1KMT2AKDM4E
SCHEMBL4815674 0.81 ASIC3 (0.54) SCN9AMAPTMEN1KMT2AKDM4E
SCHEMBL4666258 0.81 MAPT (0.53) SCN9AMAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4808551 0.79 ASIC3 (0.52) SCN9AMAPTMEN1KMT2AKDM4E
SCHEMBL4666246 0.78 ROCK1 (0.62) SCN9AMAPTMEN1KMT2AKDM4E
SCHEMBL27930256 0.77 NR4A1 (0.49) SCN9AMAPTMEN1KMT2AKDM4E
SCHEMBL4667377 0.77 SCN9A (0.50) SCN9AMAPTMEN1KMT2AKDM4E

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 13 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 claimed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP claimed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
EP-1855644-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING The Procter and Gamble Company (US) 2007-11-21 EP claimed
WO-2006099115-A2 HAIR COLORING COMPOSITIONS FOR USE IN OXIDATIVE HAIR DYEING THE PROCTER & GAMBLE COMPANY (US) 2006-09-21 WO claimed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 US claimed
EP-1982749-B1 Novel hair colouring compositions for use in oxidative hair dyeing PROCTER & GAMBLE (US) 2013-04-17 EP disclosed
EP-1982748-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter & Gamble (US) 2008-10-22 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
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 SCN9A 1395/4885MAPT 2769/4885MEN1 4338/4885

“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.