SCHEMBL3487995

SCHEMBL3487995

COc1ccc(F)c(Oc2ccc(N)c(N(C)C(=O)O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TSPO P30536 3/20 0.36
GCK P35557 1/20 0.36
PRKCZ Q05513 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
RELA Q04206 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3487538 0.89 GCK (0.39) LPAR1LPAR5TSPOGCK
SCHEMBL3487253 0.88 PPARG (0.38) ALDH1A1MAPTGAAGCK
SCHEMBL3455019 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4KDM4EMAPTMEN1
SCHEMBL27921211 0.85 ALDH1A1 (0.36) ALDH1A1CYP3A4KDM4EPOLBMAPT
SCHEMBL3487661 0.85 PARP10 (0.48) LPAR1LPAR5TSPOGCK
SCHEMBL3488808 0.83 SOS1 (0.42) MEN1KMT2A
SCHEMBL3488383 0.83 PARP10 (0.45) MEN1KMT2A
SCHEMBL3487615 0.82 SMN1; SMN2 (0.51) ALDH1A1KDM4EPOLBLPAR1LPAR5
SCHEMBL3488408 0.81 SMN1; SMN2 (0.35) KDM4EPOLBLPAR1MAPTGCK
SCHEMBL3487980 0.81 RAB9A (0.41) ALDH1A1KDM4EPOLBMAPTMEN1

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 ALDH1A1 698/4885CYP3A4 441/4885KDM4E 3594/4885

“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.