SCHEMBL3486817

SCHEMBL3486817

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HIF1A Q16665 1/20 0.32
NPC1 O15118 3/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SOS1 Q07889 1/20 0.31
LMNA P02545 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3487166 0.94 PPARG (0.34) MAPTMEN1KMT2AHIF1A
SCHEMBL14674386 0.76 MAPT (0.32) MAPTMEN1KMT2AHIF1ANPC1
SCHEMBL14674109 0.72 PPARG (0.33)
SCHEMBL7228189 0.69 ALDH1A1 (0.35) MAPTMEN1KMT2AHTTLMNA
SCHEMBL11109653 0.66 S1PR4 (0.37) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL10517340 0.65 TDP1 (0.37) KMT2AALDH1A1L3MBTL1
SCHEMBL17163972 0.62 LMNA (0.51) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL11126868 0.62
SCHEMBL9788468 0.61 MEN1 (0.33) MEN1KMT2A
SCHEMBL4851386 0.60 HTT (0.35) MAPTMEN1KMT2AHIF1ANPC1

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 MAPT 4610/4885MEN1 4545/4885KMT2A 2465/4885

“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.