SCHEMBL4851280

SCHEMBL4851280

COC(=O)c1cc(-c2nc(CCl)c(C)o2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.46
PPARA Q07869 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 4/20 0.44
THRB P10828 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL4849149 0.83 KDM4E (0.44) PPARGPPARASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2080149 0.82 MEN1 (0.57) SMN1; SMN2ALDH1A1KDM4EHSD17B10TP53
SCHEMBL4844166 0.82 PPARG (0.46) PPARGPPARASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2078397 0.81 KDM4E (0.52) PPARGSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL4853675 0.77 KDR (0.46) PPARGPPARASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4852206 0.76 ALDH1A1 (0.52) PPARGPPARASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12918698 0.74 MAPK14 (0.51) SMN1; SMN2ALDH1A1KDM4EHTTESR2
SCHEMBL12163682 0.74 POLB (0.55) ALDH1A1KDM4EHTTHSD17B10THRB
SCHEMBL70184 0.73 KDM4E (0.47) SMN1; SMN2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL1436823 0.72 PPARA (0.43) PPARGPPARAALDH1A1KDM4EHTT

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 519/4885SMN1; SMN2 4339/4885

“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.