SCHEMBL3487174

SCHEMBL3487174

O=C(O)NCc1cc(Oc2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 8/20 0.45
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SIRT5 Q9NXA8 2/20 0.40
VEGFA P15692 2/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL3487168 1.00 EPAS1 (0.45) EPAS1MAPTALDH1A1POLBSIRT5
SCHEMBL3488903 0.92 SIRT5 (0.43) MAPTALDH1A1POLBSIRT5HIF1A
SCHEMBL3488908 0.92 SIRT5 (0.43) MAPTALDH1A1POLBSIRT5HIF1A
SCHEMBL3489485 0.88 SIRT5 (0.41) MAPTALDH1A1POLBSIRT5NPC1
SCHEMBL3489491 0.88 SIRT5 (0.41) MAPTALDH1A1POLBSIRT5NPC1
SCHEMBL3487202 0.87 PTPN1 (0.41) MAPTSIRT5NPC1RAB9ASMN1; SMN2
SCHEMBL3487209 0.87 PTPN1 (0.41) MAPTSIRT5NPC1RAB9ASMN1; SMN2
SCHEMBL3487910 0.86 HSPB1 (0.46) MAPTALDH1A1SIRT5NPC1RAB9A
SCHEMBL3487917 0.86 HSPB1 (0.46) MAPTALDH1A1SIRT5NPC1RAB9A
SCHEMBL3487627 0.85 RAB9A (0.46) MAPTALDH1A1POLBSIRT5NPC1

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 2293/4885MAPT 4610/4885ALDH1A1 698/4885

“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.