SCHEMBL3487044

SCHEMBL3487044

Cc1ccc(F)cc1Oc1ccc(N)c(N(C)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
PPARG P37231 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KEAP1 Q14145 1/20 0.36
GCK P35557 2/20 0.36
STS P08842 2/20 0.36
BRAF P15056 1/20 0.35
HDAC1 Q13547 1/20 0.35
TSPO P30536 4/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
NR3C1 P04150 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34

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
SCHEMBL3487248 0.91 CARM1 (0.40) SLC6A4HTR2AKCNH2PPARGKEAP1
SCHEMBL3487538 0.89 GCK (0.39) SLC6A4HTR2AKCNH2PPARGKEAP1
SCHEMBL3488333 0.87 BRAF (0.44) FFAR1KEAP1GCKBRAFHDAC1
SCHEMBL3488357 0.86 LPAR1 (0.44) FFAR1TSPONR3C1LPAR1LPAR5
SCHEMBL27782482 0.85 ABL1 (0.37) SLC6A4HTR2AKCNH2PPARGFFAR1
SCHEMBL3487710 0.84 MRGPRX4 (0.38) PPARGFFAR4GCKSTSBRAF
SCHEMBL3487661 0.82 PARP10 (0.48) GCKTSPONR3C1LPAR1LPAR5
SCHEMBL3488037 0.82 ALDH1A1 (0.39) GCKBRAFHDAC1
SCHEMBL3488405 0.82 TDP1 (0.42) SLC6A4HTR2A
SCHEMBL3488707 0.81 HSPB1 (0.43)

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 SLC6A4 1449/4885HTR2A 1485/4885KCNH2 800/4885

“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.