SCHEMBL4848574

SCHEMBL4848574

Cc1oc(-c2ccco2)nc1COc1cccc(COc2nn(Cc3ccccc3)cc2C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
PPARG P37231 15/20 0.38
PPARA Q07869 14/20 0.38
CYP2C9 P11712 4/20 0.38
KCNH2 Q12809 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4851874 0.92 FFAR1 (0.41) KDRPPARGPPARAALDH1A1LMNA
SCHEMBL4850429 0.90 PPARG (0.45) KDRPPARGPPARAALDH1A1LMNA
SCHEMBL5374488 0.90 FFAR1 (0.39) PPARGPPARAALDH1A1NPC1RAB9A
SCHEMBL4848645 0.90 KDR (0.58) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4852692 0.89 PPARG (0.41) KDRPPARGPPARAALDH1A1LMNA
SCHEMBL4848139 0.89 PPARG (0.41) KDRPPARGPPARAALDH1A1LMNA
SCHEMBL4846867 0.89 PPARG (0.47) PPARGPPARAALDH1A1LMNANPC1
SCHEMBL4845595 0.88 PPARG (0.40) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4850700 0.88 PPARG (0.50) PPARGPPARAALDH1A1LMNANPC1
SCHEMBL4850635 0.88 PPARG (0.40) KDRPPARGPPARAALDH1A1LMNA

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 2335/4885PPARG 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.