SCHEMBL4845446

SCHEMBL4845446

COc1cc(COc2nn(-c3ccccc3)cc2/C=C/P(=O)(O)O)ccc1OCc1nc(-c2cccc(C(N)=O)c2)oc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDR P35968 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FFAR1 O14842 1/20 0.36
USP2 O75604 1/20 0.35
TP53 P04637 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
SCHEMBL4845455 1.00 PPARG (0.39) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4854446 0.94 MAPT (0.43) PPARGPPARAMAPTLMNAKDM4E
SCHEMBL4854453 0.94 MAPT (0.43) PPARGPPARAMAPTLMNAKDM4E
SCHEMBL4845738 0.92 PPARG (0.43) PPARGPPARAMAPTKDRFFAR1
SCHEMBL4845730 0.92 PPARG (0.43) PPARGPPARAMAPTKDRFFAR1
SCHEMBL4852174 0.92 PPARG (0.40) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4852158 0.92 PPARG (0.40) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4843882 0.91 PPARG (0.40) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4843867 0.91 PPARG (0.40) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4848445 0.89 PPARG (0.40) PPARGPPARAMAPTSMN1; SMN2KDR

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 519/4885MAPT 4700/4885

“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.