SCHEMBL4665674

SCHEMBL4665674

CNc1cccc(Nc2ccc(NCCO)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALPG P10696 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
KCNH3 Q9ULD8 1/20 0.43
EGFR P00533 1/20 0.42
APP P05067 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
IDH2 P48735 1/20 0.39
PGK1 P00558 1/20 0.39
KARS1 Q15046 1/20 0.39

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
SCHEMBL4667374 0.78 FCGR3B (0.50) KDM4EMAPTMEN1KMT2AALPG
SCHEMBL2175149 0.78 ALDH1A1 (0.58) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL4666258 0.75 MAPT (0.53) KCNH2SCN5AKDM4EMAPTMEN1
SCHEMBL2176931 0.74 SCN9A (0.50) SCN5AKDM4EMAPTMEN1KMT2A
SCHEMBL9551618 0.73 MAPT (0.46) KDM4EMAPTMEN1KMT2ARECQL
SCHEMBL6152657 0.71 MAPT (0.50) KDM4EMAPTRAB9ARECQLMCL1
SCHEMBL318096 0.71 KCNH2 (0.57) KCNH2SCN5AKDM4EMAPTMEN1
SCHEMBL11655423 0.70 RECQL (0.61) KDM4EMAPTTDP1RECQLMCL1
SCHEMBL2178048 0.70 MERTK (0.56) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL11507189 0.69 MAPT (0.55) KDM4EMAPTRAB9ARECQLMCL1

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 KCNH2 1434/4885SCN5A 435/4885KDM4E 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.