SCHEMBL5039587

SCHEMBL5039587

Cn1c(O)cc2sc(N)cc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.36
BACE1 P56817 1/20 0.31
DAPK3 O43293 1/20 0.30
CSNK1A1 P48729 1/20 0.30
LIMK1 P53667 1/20 0.30
TNK2 Q07912 1/20 0.30
ROCK1 Q13464 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL5039255 0.79 HSD17B10 (0.35) HSD17B10MAPK1GFERBACE1
SCHEMBL5174703 0.78
SCHEMBL5039854 0.69 PRKCI (0.47) BACE1
SCHEMBL5040196 0.68 HSD17B10 (0.36) HSD17B10MAPK1GFERDAPK3CSNK1A1
SCHEMBL5174605 0.67
SCHEMBL5035871 0.66 ATAD2 (0.38)
SCHEMBL5039782 0.65 HTT (0.41) HSD17B10GFER
SCHEMBL5039751 0.65 CLK4 (0.45) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL5036813 0.65 KDM1A (0.46) HSD17B10MAPK1
SCHEMBL5487319 0.61 ATAD2 (0.34)

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP 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 HSD17B10 342/4885MAPK1 2619/4885GFER 519/4885

“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.