SCHEMBL4844185

SCHEMBL4844185

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.44
PPARG P37231 13/20 0.44
KDR P35968 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 2/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARD Q03181 3/20 0.40

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
SCHEMBL4852702 0.91 PPARG (0.43) PPARAPPARGKDRSMN1; SMN2FFAR1
SCHEMBL4853790 0.91 PPARG (0.43) PPARAPPARGKDRSMN1; SMN2FFAR1
SCHEMBL4845536 0.91 PPARG (0.46) PPARAPPARGKDRFFAR1MAPT
SCHEMBL4846732 0.90 SMN1; SMN2 (0.41) PPARAPPARGKDRSMN1; SMN2MAPT
SCHEMBL4851209 0.89 PPARA (0.40) PPARAPPARGKDRSMN1; SMN2FFAR1
SCHEMBL4851213 0.89 PPARA (0.40) PPARAPPARGKDRSMN1; SMN2FFAR1
SCHEMBL4845204 0.89 PPARG (0.42) PPARAPPARGKDRSMN1; SMN2FFAR1
SCHEMBL4850456 0.89 PPARG (0.44) PPARAPPARGKDRFFAR1MAPT
SCHEMBL4843928 0.87 PPARG (0.43) PPARAPPARGSMN1; SMN2MAPTKDM4E
SCHEMBL4853864 0.87 PPARG (0.41) PPARAPPARGKDRFFAR1MAPT

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 PPARA 519/4885PPARG 536/4885KDR 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.