SCHEMBL4848532

SCHEMBL4848532

Cc1oc(-c2ccccc2)nc1COc1ccc(COc2nn(Cc3ccccc3)cc2CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.56
FFAR1 O14842 1/20 0.54
PPARG P37231 14/20 0.50
PPARA Q07869 13/20 0.50
MAPT P10636 1/20 0.43

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
SCHEMBL5377024 0.99 FFAR1 (0.55) KDRFFAR1PPARGPPARAMAPT
SCHEMBL5385613 0.92 KDR (0.54) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4855367 0.91 KDR (0.67) KDRFFAR1PPARGPPARA
SCHEMBL5410288 0.91 FFAR1 (0.67) KDRFFAR1PPARGPPARA
SCHEMBL5376948 0.91 FFAR1 (0.67) KDRFFAR1PPARGPPARA
SCHEMBL5396849 0.91 FFAR1 (0.58) KDRFFAR1PPARGPPARA
SCHEMBL4850044 0.89 KDR (0.43) KDRFFAR1PPARGPPARAMAPT
SCHEMBL5377430 0.88 FFAR1 (0.56) KDRFFAR1PPARGPPARAMAPT
SCHEMBL5380604 0.88 FFAR1 (0.56) KDRFFAR1PPARGPPARA
SCHEMBL5385618 0.88 PPARG (0.54) KDRFFAR1PPARGPPARA

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 KDR 2335/4885FFAR1 771/4885PPARG 536/4885

“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.