SCHEMBL4953408

SCHEMBL4953408

Nc1ccc(O)c2c1ccn2NCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.40
HDAC3 O15379 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NSD2 O96028 4/20 0.38
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
THRB P10828 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PSMB5 P28074 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL4956619 0.88 IDO1 (0.42) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4956693 0.80 IDO1 (0.35) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4953315 0.79 IDO1 (0.34) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4954044 0.77 IDO1 (0.38) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4914582 0.76 IDO1 (0.39) IDO1KMT2ACYP1A2CYP2D6MEN1
SCHEMBL4953489 0.76 PKM (0.39) IDO1KMT2AALOX15MEN1RXFP1
SCHEMBL4953899 0.74 IDO1 (0.42) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4954415 0.74 NSD2 (0.43) IDO1NSD2THRBMAPTCYP3A4
SCHEMBL4953211 0.73 NSD2 (0.36) IDO1NSD2KMT2ACYP1A2CYP2D6
SCHEMBL4911040 0.73 IDO1 (0.42) IDO1KMT2AMEN1THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C IDO1 1767/4885HDAC3 460/4885EP300 2357/4885

“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.