SCHEMBL5036563

SCHEMBL5036563

Nc1cc2oc(N)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.37
PSMB8 P28062 1/20 0.35
KMO O15229 1/20 0.33
EHMT2 Q96KQ7 1/20 0.32

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
SCHEMBL5040127 0.77 AOC3 (0.34) AOC3PSMB8KMOEHMT2
SCHEMBL5040254 0.77 PSMB8 (0.33) PSMB8KMO
SCHEMBL4429392 0.73 EHMT2 (0.43) AOC3PSMB8EHMT2
SCHEMBL4420696 0.71 MAPT (0.37) AOC3PSMB8
SCHEMBL5041357 0.67 PSMB8 (0.30) PSMB8
SCHEMBL5036705 0.67
SCHEMBL5036924 0.67 AOC3 (0.50) AOC3EHMT2
SCHEMBL5039755 0.67 MEN1 (0.35)
SCHEMBL5036715 0.65
SCHEMBL9680309 0.64 KMO (0.59) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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 (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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B AOC3 350/4885PSMB8 1320/4885KMO 43/4885

“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.