SCHEMBL4848637

SCHEMBL4848637

COc1cc(COc2nn(-c3ccccc3)cc2C(N)=O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.51
PPARA Q07869 12/20 0.51
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
FFAR1 O14842 1/20 0.44
KDR P35968 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.41

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
SCHEMBL4846783 0.94 PPARG (0.55) PPARGPPARAALDH1A1HPGDFFAR1
SCHEMBL4851961 0.91 FFAR1 (0.46) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4852905 0.91 PPARG (0.49) PPARGPPARAALDH1A1HPGDFFAR1
SCHEMBL4850978 0.90 PPARG (0.49) PPARGPPARAALDH1A1HPGDMAPT
SCHEMBL4843359 0.88 FFAR1 (0.43) PPARGPPARAFFAR1KDRMAPT
SCHEMBL5409261 0.88 PPARG (0.48) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4853207 0.87 PPARG (0.48) PPARGPPARAALDH1A1HPGDFFAR1
SCHEMBL4851310 0.86 KDR (0.49) PPARGPPARAALDH1A1HPGDFFAR1
SCHEMBL4846879 0.86 PTGER4 (0.46) PPARGPPARAALDH1A1FFAR1KDR
SCHEMBL4846866 0.86 PTGER4 (0.46) PPARGPPARAALDH1A1FFAR1KDR

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 519/4885ALDH1A1 821/4885

“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.