SCHEMBL4910484

SCHEMBL4910484

Nc1cc(O)cn1NCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 4/20 0.37
CYP3A4 P08684 2/20 0.37
PKM P14618 3/20 0.36
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CSNK1D P48730 2/20 0.35
ALOX12 P18054 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL4912047 0.74 CYP3A4 (0.37) IDO1THRBMAPTCYP3A4CYP1A2
SCHEMBL4914460 0.72 ASAH1 (0.43) IDO1THRBMAPTCYP3A4CYP1A2
SCHEMBL4914582 0.71 IDO1 (0.39) IDO1THRBMAPTCYP3A4PKM
SCHEMBL4913674 0.69 IDO1 (0.48) IDO1THRBMAPTCYP3A4ALOX12
SCHEMBL4914567 0.68 IDO1 (0.39) IDO1THRBMAPTCYP3A4PKM
SCHEMBL4904417 0.68 IDO1 (0.39) IDO1MAPTCYP3A4GAA
SCHEMBL4914488 0.68 IDO1 (0.39) IDO1MAPTCYP1A2ALDH1A1LMNA
SCHEMBL4906891 0.67 IDO1 (0.46) IDO1THRBMAPTCYP3A4ALOX12
SCHEMBL4953453 0.67 ROCK1 (0.35) IDO1THRBMAPTPKMALOX15
SCHEMBL4951832 0.67 ROCK1 (0.35) IDO1THRBMAPTPKMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 IDO1 1934/4885THRB 4185/4885MAPT 1579/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 IDO1 1934/4885THRB 4185/4885MAPT 1579/4885

“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.