SCHEMBL4852174

SCHEMBL4852174

COc1cc(COc2nn(-c3ccccc3)cc2C=CP(=O)(O)O)ccc1OCc1nc(-c2cccc(CC(N)=O)c2)oc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
PPARA Q07869 7/20 0.40
KDR P35968 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
FBP1 P09467 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4852158 1.00 PPARG (0.40) PPARGPPARAKDRKMT2AMAPT
SCHEMBL4845455 0.92 PPARG (0.39) PPARGPPARAKDRKMT2AMAPT
SCHEMBL4845446 0.92 PPARG (0.39) PPARGPPARAKDRKMT2AMAPT
SCHEMBL4845730 0.91 PPARG (0.43) PPARGPPARAKDRMAPTTP53
SCHEMBL4845738 0.91 PPARG (0.43) PPARGPPARAKDRMAPTTP53
SCHEMBL4843867 0.91 PPARG (0.40) PPARGPPARAKDRKMT2AMAPT
SCHEMBL4843882 0.91 PPARG (0.40) PPARGPPARAKDRKMT2AMAPT
SCHEMBL4854453 0.89 MAPT (0.43) PPARGPPARAMAPTLMNATP53
SCHEMBL4854446 0.89 MAPT (0.43) PPARGPPARAMAPTLMNATP53
SCHEMBL4845500 0.88 PPARG (0.39) PPARGPPARAKDRKMT2AMAPT

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 519/4885KDR 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.