SCHEMBL3487166

SCHEMBL3487166

O=C(O)NCC1C=CC=CC1(Oc1ccc(Cl)c(F)c1)[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ATF4 P18848 8/20 0.33
CHRNA3 P32297 1/20 0.32
HIF1A Q16665 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SLC6A4 P31645 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
KCNH2 Q12809 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3486817 0.94 MAPT (0.34) HIF1AMEN1MAPTKMT2A
SCHEMBL14674109 0.78 PPARG (0.33) PPARGPPARASLC6A4
SCHEMBL14674386 0.71 MAPT (0.32) HIF1AMEN1MAPTKMT2A
SCHEMBL7228189 0.69 ALDH1A1 (0.35) MEN1MAPTKMT2A
SCHEMBL11109653 0.64 S1PR4 (0.37) PPARAMEN1MAPTKMT2A
SCHEMBL10517340 0.62 TDP1 (0.37) KMT2A
SCHEMBL9788468 0.61 MEN1 (0.33) MEN1KMT2A
SCHEMBL4851386 0.60 HTT (0.35) HIF1AKCNH2MEN1MAPTKMT2A
SCHEMBL11126868 0.60
SCHEMBL22777594 0.58 ATF4 (0.61) ATF4

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
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA PPARG 1/4885PPARA 3/4885ATF4 264/4885

“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.