SCHEMBL4667377

SCHEMBL4667377

Nc1cccc(Nc2ccc(N3CCCC3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.50
CD274 Q9NZQ7 1/20 0.49
KDM4E B2RXH2 6/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 3/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALOX15 P16050 2/20 0.49
NR4A1 P22736 1/20 0.49
L3MBTL1 Q9Y468 6/20 0.46
HTT P42858 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ABL1 P00519 2/20 0.44
YES1 P07947 2/20 0.44
NTRK1 P04629 1/20 0.44
PIM1 P11309 1/20 0.44

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
SCHEMBL4665629 0.77 SCN9A (0.61) SCN9AKDM4EMAPTALDH1A1MEN1
SCHEMBL7346798 0.75 MAPT (0.72) SCN9AKDM4EMAPTALDH1A1MEN1
SCHEMBL29466334 0.75 MAPT (0.72) SCN9AKDM4EMAPTALDH1A1MEN1
SCHEMBL30109311 0.74 RAB9A (0.58) CD274KDM4EMAPTALDH1A1MEN1
SCHEMBL14431554 0.72 CYP1A2 (0.58) CD274KDM4EMAPTALDH1A1MEN1
SCHEMBL9878020 0.72 SCN9A (0.53) SCN9AKDM4EMAPTALDH1A1MEN1
SCHEMBL24011004 0.72 SCN9A (0.55) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6204359 0.72 MAPT (0.74) CD274KDM4EMAPTALDH1A1MEN1
SCHEMBL7343928 0.71 MAPT (0.56) CD274KDM4EMAPTALDH1A1MEN1
SCHEMBL414189 0.70 CD274 (0.46) CD274KDM4EMAPTALDH1A1MEN1

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 1395/4885CD274 911/4885KDM4E 2480/4885

“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.