SCHEMBL4665680

SCHEMBL4665680

CN(c1ccc(N)cc1)c1ccnc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.44
NOS2 P35228 4/20 0.44
NOS1 P29475 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
EGFR P00533 2/20 0.39
PTPN11 Q06124 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL177904 0.78 MAPT (0.52) KDM4EMEN1KMT2AALDH1A1CYP3A4
SCHEMBL29818474 0.78 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL1099323 0.78 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL21474106 0.77 ALDH1A1 (0.68) KDM4EMEN1KMT2AALDH1A1CYP3A4
SCHEMBL64766 0.77 ALDH1A1 (0.68) KDM4EMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7877908 0.77 ALDH1A1 (0.68) KDM4EMEN1KMT2AALDH1A1CYP3A4
SCHEMBL4667357 0.74 ALDH1A1 (0.43) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL7875523 0.74 ALDH1A1 (0.52) KDM4EMEN1KMT2AALDH1A1CYP3A4
SCHEMBL8119143 0.72 ALDH1A1 (0.50) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL21474111 0.71 ALDH1A1 (0.59) KDM4EMEN1KMT2AALDH1A1CYP3A4

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 NOS3 566/4885NOS2 954/4885NOS1 839/4885

“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.