SCHEMBL4851691

SCHEMBL4851691

CCOC(=O)c1cn(Cc2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
PPARG P37231 15/20 0.51
PPARA Q07869 12/20 0.51
KDR P35968 1/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5376864 0.99 FFAR1 (0.55) FFAR1PPARGPPARAKDRMEN1
SCHEMBL5377223 0.93 FFAR1 (0.51) FFAR1PPARGPPARAKDR
SCHEMBL4847694 0.92 KDR (0.57) FFAR1PPARGPPARAKDR
SCHEMBL4849050 0.90 FFAR1 (0.43) FFAR1PPARGPPARAMEN1HSP90AA1
SCHEMBL5385889 0.89 FFAR1 (0.57) FFAR1PPARGPPARAKDR
SCHEMBL4850889 0.88 FFAR1 (0.42) FFAR1PPARGPPARAKDRMEN1
SCHEMBL5381940 0.87 FFAR1 (0.41) FFAR1PPARGPPARAMEN1HSP90AA1
SCHEMBL5372048 0.87 MEN1 (0.51) MEN1HSP90AA1KMT2A
SCHEMBL5376925 0.86 MAPT (0.44) FFAR1PPARGPPARAKDR
SCHEMBL5380604 0.86 FFAR1 (0.56) FFAR1PPARGPPARAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 FFAR1 771/4885PPARG 536/4885PPARA 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.