SCHEMBL10219864

SCHEMBL10219864

FC(F)(F)c1ccc2nc(N3CCC(CCCl)CC3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.48
PPARD Q03181 8/20 0.48
PPARA Q07869 7/20 0.48
CNR2 P34972 1/20 0.46
PCSK9 Q8NBP7 1/20 0.46
SCN4A P35499 2/20 0.46
SCN9A Q15858 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
EPHX2 P34913 1/20 0.45
CSNK1D P48730 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.43
MITF O75030 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL10219769 0.88 PPARG (0.51) PPARGPPARDPPARACNR2PCSK9
SCHEMBL335645 0.84 NPC1 (0.64) PPARGPPARDPPARACNR2NPC1
SCHEMBL10219869 0.83 RAB9A (0.64) PPARGPPARDPPARANPC1RAB9A
SCHEMBL10219811 0.83 MAPT (0.58) PPARGPPARDPPARANPC1RAB9A
SCHEMBL14143675 0.83 SCN4A (0.52) PPARGPPARDPPARACNR2PCSK9
SCHEMBL10219822 0.82 PPARG (0.56) PPARGPPARDPPARACNR2SCN4A
SCHEMBL334023 0.80 PPARG (0.47) PPARGPPARDPPARACNR2PCSK9
SCHEMBL10219834 0.79 CNR2 (0.53) PPARGPPARDPPARACNR2SCN4A
SCHEMBL6125240 0.78 PPARG (0.56) PPARGPPARDPPARACNR2SCN4A
SCHEMBL2710713 0.78 SCN4A (0.67) PPARGPPARDPPARACNR2SCN4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PPARG 3/4885PPARD 1/4885PPARA 2/4885

“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.