SCHEMBL4912475

SCHEMBL4912475

Nc1nn(NCc2ccccc2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
BACE1 P56817 1/20 0.37
IDO1 P14902 3/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
CSNK1D P48730 2/20 0.36
APP P05067 1/20 0.36
FYN P06241 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL4914042 0.83 ADORA2A (0.40) ADORA2AADORA1BACE1IDO1THRB
SCHEMBL4914077 0.75 ATR (0.34) ADORA2AADORA1CYP1A2CYP2D6ALOX15
SCHEMBL4914567 0.73 IDO1 (0.39) CYP1A2CYP2D6IDO1THRBPKM
SCHEMBL4906891 0.70 IDO1 (0.46) BACE1IDO1THRBCYP3A4MAPT
SCHEMBL4913947 0.68 ALDH1A1 (0.38) ADORA2AIDO1THRBPKMAPP
SCHEMBL4914460 0.68 ASAH1 (0.43) ADORA2AADORA1CYP1A2CYP2D6IDO1
SCHEMBL4914582 0.67 IDO1 (0.39) CYP1A2CYP2D6IDO1THRBPKM
SCHEMBL4910484 0.66 IDO1 (0.38) CYP1A2CYP2D6ALOX15IDO1THRB
SCHEMBL3996745 0.65 CYP19A1 (0.45) IDO1THRBCYP3A4MAPT
SCHEMBL4913674 0.64 IDO1 (0.48) BACE1IDO1THRBCYP3A4MAPT

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 ADORA2A 4277/4885ADORA1 4214/4885CYP1A2 752/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 ADORA2A 4277/4885ADORA1 4214/4885CYP1A2 752/4885

“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.