SCHEMBL10219834

SCHEMBL10219834

FC(F)(F)c1ccc2nc(N3CCCN(CCCl)CC3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
PPARG P37231 4/20 0.53
PPARD Q03181 4/20 0.53
PPARA Q07869 4/20 0.53
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
SCN4A P35499 2/20 0.43
SCN9A Q15858 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL10219822 0.96 PPARG (0.56) CNR2PPARGPPARDPPARANPC1
SCHEMBL10219746 0.89 PPARG (0.55) CNR2PPARGPPARDPPARANPC1
SCHEMBL10219842 0.84 PPARG (0.59) CNR2PPARGPPARDPPARANPC1
SCHEMBL10219821 0.84 NPC1 (0.68) CNR2PPARDNPC1RAB9ASMN1; SMN2
SCHEMBL10219642 0.83 PPARD (0.59) CNR2PPARGPPARDPPARANPC1
SCHEMBL10219851 0.82 RAB9A (0.42) CNR2PPARGPPARDPPARANPC1
SCHEMBL10219669 0.81 PPARD (0.72) CNR2PPARGPPARDPPARANPC1
SCHEMBL6125240 0.80 PPARG (0.56) CNR2PPARGPPARDPPARANPC1
SCHEMBL10219604 0.79 PPARD (0.61) CNR2PPARGPPARDPPARANPC1
SCHEMBL4637131 0.79 NPC1 (0.67) CNR2PPARDNPC1RAB9ASMN1; SMN2

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 CNR2 177/4885PPARG 3/4885PPARD 1/4885

“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.