SCHEMBL3487759

SCHEMBL3487759

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGES O14684 2/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
SERPINE1 P05121 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GHSR Q92847 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6544544 0.91 MEN1 (0.43) MAPTMEN1KMT2ATTRPPOX
SCHEMBL3488461 0.88 DHODH (0.38) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27782513 0.88 SIRT5 (0.42) MAPTLMNASMN1; SMN2ALDH1A1GHSR
SCHEMBL3487339 0.87 MEN1 (0.46) MAPTMEN1KMT2ATTRPPOX
SCHEMBL6543839 0.87 MAPT (0.40) MAPTLMNASMN1; SMN2ALDH1A1GHSR
SCHEMBL3487335 0.87 MEN1 (0.46) MAPTMEN1KMT2ATTRPPOX
SCHEMBL6544430 0.87 MMP13 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL3487106 0.86 HSD17B1 (0.44) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL4447092 0.85 TBXA2R (0.42) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL6543697 0.85 MAPT (0.38) MAPTSMN1; SMN2ALDH1A1

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