SCHEMBL4854535

SCHEMBL4854535

Cc1oc(-c2ccco2)nc1COc1cccc(COc2nn(Cc3ccccc3)cc2CO)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
PPARG P37231 17/20 0.39
PPARA Q07869 17/20 0.39
CYP2C9 P11712 5/20 0.38
KCNH2 Q12809 4/20 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
SCHEMBL4850044 0.92 KDR (0.43) KDRPPARGPPARA
SCHEMBL4848210 0.90 PPARG (0.44) KDRPPARGPPARA
SCHEMBL5385723 0.89 FFAR1 (0.40) KDRPPARGPPARA
SCHEMBL4855367 0.89 KDR (0.67) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4855201 0.89 PPARG (0.40) KDRPPARGPPARA
SCHEMBL4848125 0.89 KDR (0.43) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4850476 0.88 PPARG (0.46) KDRPPARGPPARA
SCHEMBL4855315 0.88 PPARG (0.40) KDRPPARGPPARA
SCHEMBL4850393 0.88 PPARG (0.40) KDRPPARGPPARA
SCHEMBL4845989 0.88 KDM4E (0.43) KDRPPARGPPARA

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.