SCHEMBL3487600

SCHEMBL3487600

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MGLL Q99685 1/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
PGR P06401 1/20 0.41
NAAA Q02083 1/20 0.41
CDK8 P49336 1/20 0.40
OGG1 O15527 1/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMO O15229 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
FFAR1 O14842 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38

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
SCHEMBL3487615 0.85 SMN1; SMN2 (0.51) KDM4EMGLLLPAR1LPAR5PGR
SCHEMBL3487215 0.85 HSD17B1 (0.52) MGLLCDK8LMNAFFAR1L3MBTL1
SCHEMBL27782486 0.84 MGLL (0.40) KDM4EMGLLLPAR1LPAR5PGR
SCHEMBL3488382 0.84 EPAS1 (0.41)
SCHEMBL3487420 0.83 SOS1 (0.46) CDK8SLC6A4KMOCHEK2
SCHEMBL3487572 0.82 PTGES (0.42) KDM4EFFAR1L3MBTL1
SCHEMBL3488808 0.81 SOS1 (0.42) SLC6A4
SCHEMBL3487537 0.81 KDM4E (0.45) KDM4ECDK8L3MBTL1ICAM1SELE
SCHEMBL3488475 0.81 MAPK14 (0.41) SLC6A2SLC6A4
SCHEMBL3488383 0.81 PARP10 (0.45) PGR

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 KDM4E 3594/4885MGLL 253/4885LPAR1 388/4885

“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.