SCHEMBL3487170

SCHEMBL3487170

CN(C(=O)O)c1cc(Oc2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 12/20 0.46
VEGFA P15692 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35

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
SCHEMBL3488905 0.92 SIRT5 (0.38) EPAS1VEGFATDP1MEN1TTR
SCHEMBL3489487 0.88 TSHR (0.36) MEN1KMT2APPARGSIRT5
SCHEMBL3487205 0.88 MAPT (0.38) MEN1KMT2A
SCHEMBL27782512 0.86 EPAS1 (0.43) EPAS1VEGFATDP1HIF1AMEN1
SCHEMBL3487913 0.86 HSPB1 (0.47) TDP1MEN1KMT2A
SCHEMBL3487628 0.85 MAPT (0.45) EPAS1TDP1MEN1KMT2A
SCHEMBL3487453 0.85 SIRT5 (0.47) TDP1MEN1KMT2ASIRT5
SCHEMBL3489428 0.85 SOS1 (0.39) TDP1HIF1AMEN1TTRPPOX
SCHEMBL3487276 0.83 TSHR (0.38) TDP1MEN1TTRPPOXKMT2A
SCHEMBL3488382 0.81 EPAS1 (0.41) EPAS1VEGFAHIF1APPARG

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 EPAS1 2293/4885VEGFA 2723/4885TDP1 4745/4885

“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.