SCHEMBL3488461

SCHEMBL3488461

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SCN9A Q15858 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK14 Q16539 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
THRB P10828 1/20 0.34
FBP1 P09467 1/20 0.34
PPARG P37231 2/20 0.34
MITF O75030 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34

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
SCHEMBL3487759 0.88 MAPT (0.42) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27782513 0.88 SIRT5 (0.42) MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6543839 0.87 MAPT (0.40) MAPTHTTKDM4ESMN1; SMN2
SCHEMBL3487550 0.87 DHODH (0.42) DHODHMEN1KMT2ATP53MAPT
SCHEMBL3487546 0.87 DHODH (0.42) DHODHMEN1KMT2ATP53MAPT
SCHEMBL6544430 0.87 MMP13 (0.42) NPSR1KDM4ESMN1; SMN2
SCHEMBL3487106 0.86 HSD17B1 (0.44) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL6543697 0.85 MAPT (0.38) MAPTNPSR1KDM4ESMN1; SMN2
SCHEMBL4447092 0.85 TBXA2R (0.42) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL4450704 0.85 ALDH1A1 (0.48) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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
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.