SCHEMBL4667347

SCHEMBL4667347

Nc1ccc(N(CCO)c2cccc(N)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
CYP3A4 P08684 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 2/20 0.38
RECQL P46063 2/20 0.37
CASP1 P29466 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL28883135 0.91 MAOA (0.44) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1
SCHEMBL28958670 0.85 CYP3A4 (0.54) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1
SCHEMBL29375628 0.78 CYP3A4 (0.42) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1
SCHEMBL94021 0.78 CYP3A4 (0.42) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1
SCHEMBL891571 0.74 KDM4E (0.39) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1
SCHEMBL29825453 0.74 MAOA (0.44) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1
SCHEMBL18604654 0.74 MAOA (0.44) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1
SCHEMBL18979892 0.73 CYP3A4 (0.62) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1
SCHEMBL453394 0.72 KDM4E (0.55) KDM4ECYP3A4TDP1L3MBTL1CYP2C9
SCHEMBL3725884 0.72 ALDH1A1 (0.49) ALDH1A1KDM4ECYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982748-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter & Gamble (US) 2008-10-22 EP claimed
CN-101137345-A Novel hair coloring compositions for oxidative hair dyeing PROCTER & GAMBLE (US) 2008-03-05 CN 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
CN-101137345-B Novel hair coloring compositions for oxidative hair dyeing PROCTER & GAMBLE 2012-10-31 CN 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
CN-101137345-A Novel hair coloring compositions for oxidative hair dyeing PROCTER & GAMBLE (US) 2008-03-05 CN 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 ALDH1A1 89/4885KDM4E 2480/4885CYP3A4 310/4885

“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.