SCHEMBL4665683

SCHEMBL4665683

Nc1ccc(Nc2cccc(N)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
SCN9A Q15858 1/20 0.42
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
PTGS1 P23219 2/20 0.37
KDM4E B2RXH2 4/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL19216322 0.83 KDR (0.49) SCN9AXIAPBIRC2KDM4ERAB9A
SCHEMBL30202244 0.82 FTO (0.46) FTOKDM4CKDM5BKDM2AKDM3A
SCHEMBL20796132 0.82 FTO (0.46) FTOKDM4CKDM5BKDM2AKDM3A
SCHEMBL9878020 0.82 SCN9A (0.53) SCN9AXIAPBIRC2KDM4ERAB9A
SCHEMBL912723 0.78 KMT2A (0.53) KDM4ERAB9AKMT2ATDP1NPC1
SCHEMBL4665629 0.76 SCN9A (0.61) FTOKDM5BKDM3ASCN9AXIAP
SCHEMBL31069511 0.74 KDR (0.48) SCN9AXIAPBIRC2KDM4ERAB9A
SCHEMBL30639142 0.72 RAD52 (0.45) FTOKDM4CKDM5BKDM2AKDM3A
SCHEMBL913981 0.72 HCAR3 (0.56) KDM4ERAB9AKMT2ATDP1LMNA
SCHEMBL4667858 0.71 KDM4E (0.53) KDM4ERAB9AKMT2ATDP1LMNA

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-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 FTO 1188/4885KDM4C 1318/4885KDM5B 740/4885

“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.