SCHEMBL4953232

SCHEMBL4953232

Nc1ccc(N)c2c1ccn2O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
HDAC3 O15379 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PSMB5 P28074 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4956041 0.85 IDO1 (0.43) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL4956583 0.78 HTR6 (0.36) IDO1
SCHEMBL4951854 0.78 PRKCI (0.35) IDO1
SCHEMBL4951542 0.76 GAA (0.41) ALDH1A1HSD17B10TDP1
SCHEMBL4955656 0.74 IDO1 (0.40) IDO1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL4952602 0.74 KDM4E (0.40) IDO1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL4953509 0.73
SCHEMBL4953889 0.73 PKM (0.33) IDO1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL4953026 0.73 KMT2A (0.32) TSHRTDP1
SCHEMBL4955180 0.73

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.