SCHEMBL3487537

SCHEMBL3487537

CN(C(=O)O)c1cc(Oc2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CDK8 P49336 1/20 0.43
MAPT P10636 2/20 0.43
CACNA1B Q00975 1/20 0.42
PPARG P37231 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TLR7 Q9NYK1 2/20 0.41
TLR8 Q9NR97 1/20 0.41
KIF11 P52732 1/20 0.40
PPARA Q07869 3/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL3488475 0.85 MAPK14 (0.41) PPARGMAPK14THRATHRBPPARA
SCHEMBL3487215 0.82 HSD17B1 (0.52) ALDH1A1CDK8MAPTMEN1KMT2A
SCHEMBL3487615 0.82 SMN1; SMN2 (0.51) KDM4EALDH1A1MEN1KMT2A
SCHEMBL3487335 0.81 MEN1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3487339 0.81 MEN1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3487600 0.81 KDM4E (0.44) KDM4ECDK8L3MBTL1ICAM1SELE
SCHEMBL3488333 0.79 BRAF (0.44) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3487572 0.79 PTGES (0.42) KDM4EALDH1A1L3MBTL1THRATHRB
SCHEMBL3488271 0.78 VEGFA (0.40) PPARG
SCHEMBL3488808 0.78 SOS1 (0.42) PPARGMEN1KMT2A

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 KDM4E 3594/4885ALDH1A1 698/4885CDK8 3475/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA KDM4E 3594/4885ALDH1A1 698/4885CDK8 3475/4885

“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.