SCHEMBL4949458

SCHEMBL4949458

Nc1ccc(O)c2c1ccn2OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
HDAC3 O15379 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HRAS P01112 1/20 0.35
DHFR P00374 3/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 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
SCHEMBL4953427 0.79 IDO1 (0.35) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4954205 0.78 IDO1 (0.34) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4914000 0.75 IDO1 (0.39) IDO1ALDH1A1DHFRKDM4EL3MBTL1
SCHEMBL4955274 0.75 IDO1 (0.37) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4952827 0.75 APP (0.37) ALDH1A1LMNATSHRSMN1; SMN2TDP1
SCHEMBL4951861 0.75 ROCK1 (0.39) IDO1ALDH1A1DHFRL3MBTL1TSHR
SCHEMBL4954007 0.73 IDO1 (0.38) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4953408 0.72 IDO1 (0.40) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4955620 0.72 IDO1 (0.36) IDO1ALDH1A1DHFRL3MBTL1TSHR
SCHEMBL4951523 0.72 HTR6 (0.43) IDO1ALDH1A1HRASKDM4EL3MBTL1

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-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
CN-101010118-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 CN 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.