SCHEMBL4853790

SCHEMBL4853790

COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1nc(-c2cccc(O)c2)oc1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.43
PPARA Q07869 9/20 0.43
KDR P35968 1/20 0.41
FFAR1 O14842 1/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4845536 0.94 PPARG (0.46) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4852702 0.92 PPARG (0.43) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4845204 0.91 PPARG (0.42) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4843867 0.91 PPARG (0.40) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4843882 0.91 PPARG (0.40) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4844185 0.91 PPARA (0.44) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4853864 0.90 PPARG (0.41) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4848025 0.89 PPARG (0.41) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4850456 0.89 PPARG (0.44) PPARGPPARAKDRFFAR1MAPT
SCHEMBL4846732 0.89 SMN1; SMN2 (0.41) PPARGPPARAKDRMAPTPTPN2

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 PPARG 536/4885PPARA 519/4885KDR 2335/4885

“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.