SCHEMBL4954044

SCHEMBL4954044

Nc1ccc(O)c2c1cnn2NCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
EP300 Q09472 2/20 0.38
KAT2B Q92831 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
HDAC3 O15379 2/20 0.38
NCOR2 Q9Y618 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
NSD2 O96028 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PSMB5 P28074 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
MAPK10 P53779 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 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
SCHEMBL4949138 0.89 IDO1 (0.40) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL4953976 0.88 KDM4E (0.38) IDO1NSD2KDM4ETSHRMAPK10
SCHEMBL4956846 0.81 EP300 (0.36) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL4959800 0.80 EP300 (0.35) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL4913947 0.78 ALDH1A1 (0.38) IDO1TSHRHPGDMAPTALDH1A1
SCHEMBL4953408 0.77 IDO1 (0.40) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL4955376 0.77 PKM (0.37) IDO1ALOX15KDM4ETSHRMAPK10
SCHEMBL4951537 0.76 EP300 (0.42) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL4951789 0.75 NSD2 (0.41) IDO1NSD2KDM4ETSHRMAPK10
SCHEMBL4953980 0.74 GPR68 (0.37) IDO1NSD2KDM4ETSHRMAPK10

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 1767/4885EP300 2357/4885KAT2B 368/4885

“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.