SCHEMBL3487550

SCHEMBL3487550

CN(C(=O)O)c1cc(Oc2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK14 Q16539 1/20 0.39
PPARG P37231 1/20 0.38
SCN9A Q15858 3/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CETP P11597 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MITF O75030 1/20 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
SCHEMBL3487546 1.00 DHODH (0.42) DHODHMEN1KMT2ATP53MAPT
SCHEMBL3488461 0.87 DHODH (0.38) DHODHMEN1KMT2ATP53MAPT
SCHEMBL3487339 0.87 MEN1 (0.46) MEN1KMT2AMAPTKDM4ETTR
SCHEMBL3487335 0.87 MEN1 (0.46) MEN1KMT2AMAPTKDM4ETTR
SCHEMBL3489726 0.86 AKR1C3 (0.45) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL3487453 0.85 SIRT5 (0.47) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL3486961 0.84 HSD17B1 (0.48) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL3486956 0.84 HSD17B1 (0.48) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL3488318 0.83 ALOX5 (0.42) MAPTNPSR1KDM4E
SCHEMBL3487628 0.83 MAPT (0.45) MEN1KMT2AMAPTKDM4ETDP1

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
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-07 US 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 (2 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-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA DHODH 2765/4885MEN1 4545/4885KMT2A 2465/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA DHODH 2765/4885MEN1 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.