SCHEMBL4854446

SCHEMBL4854446

COc1cc(COc2nn(-c3ccccc3)cc2/C=C/P(=O)(O)O)ccc1OCc1nc(-c2ccc(C(N)=O)cc2)oc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
SMPD1 P17405 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL4854453 1.00 MAPT (0.43) MAPTTP53POLBPPARGPPARA
SCHEMBL4845455 0.94 PPARG (0.39) MAPTTP53PPARGPPARAKDM4E
SCHEMBL4845446 0.94 PPARG (0.39) MAPTTP53PPARGPPARAKDM4E
SCHEMBL4845738 0.93 PPARG (0.43) MAPTTP53POLBPPARGPPARA
SCHEMBL4845730 0.93 PPARG (0.43) MAPTTP53POLBPPARGPPARA
SCHEMBL4852158 0.89 PPARG (0.40) MAPTTP53PPARGPPARAKDM4E
SCHEMBL4852174 0.89 PPARG (0.40) MAPTTP53PPARGPPARAKDM4E
SCHEMBL4843882 0.89 PPARG (0.40) MAPTPPARGPPARAKDM4ELMNA
SCHEMBL4843867 0.89 PPARG (0.40) MAPTPPARGPPARAKDM4ELMNA
SCHEMBL4845278 0.88 MAPT (0.43) MAPTTP53POLBPPARGPPARA

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 MAPT 4700/4885TP53 4408/4885POLB 3042/4885

“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.