SCHEMBL3487615

SCHEMBL3487615

COc1cccc(Oc2ccc(N)c(N(C)C(=O)O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
MTNR1B P49286 10/20 0.47
MTNR1A P48039 6/20 0.47
PGR P06401 1/20 0.46
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
LMNA P02545 2/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3488383 0.90 PARP10 (0.45) SMN1; SMN2HSD17B1HSD17B2MTNR1BMTNR1A
SCHEMBL3455019 0.90 ALDH1A1 (0.44) SMN1; SMN2KDM4EHSD17B1HSD17B2MEN1
SCHEMBL3489386 0.87 ALDH1A1 (0.40) SMN1; SMN2KDM4EPOLBHSD17B1HSD17B2
SCHEMBL3487215 0.86 HSD17B1 (0.52) SMN1; SMN2POLBHSD17B1HSD17B2FFAR1
SCHEMBL3488408 0.86 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EPOLBHSD17B1HSD17B2
SCHEMBL3487600 0.85 KDM4E (0.44) KDM4EPGRFFAR1LPAR1LPAR5
SCHEMBL3488475 0.85 MAPK14 (0.41)
SCHEMBL3487572 0.83 PTGES (0.42) SMN1; SMN2KDM4EPOLBFFAR1FFAR4
SCHEMBL3487537 0.82 KDM4E (0.45) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3487995 0.82 ALDH1A1 (0.40) KDM4EPOLBLPAR1LPAR5MEN1

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 SMN1; SMN2 4397/4885KDM4E 3594/4885POLB 4052/4885

“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.