SCHEMBL3487614

SCHEMBL3487614

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
MTNR1B P49286 10/20 0.49
MTNR1A P48039 5/20 0.48
PGR P06401 2/20 0.47
MMP13 P45452 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3488380 0.91 RAF1 (0.44) SMN1; SMN2MTNR1BMMP13KDM4EPOLB
SCHEMBL20957057 0.91 HSD17B10 (0.46) ALDH1A1HPGD
SCHEMBL3489383 0.89 ALDH1A1 (0.42) SMN1; SMN2MTNR1BMMP13KDM4EPOLB
SCHEMBL3487214 0.88 ALDH1A1 (0.54) SMN1; SMN2POLBALDH1A1MEN1KMT2A
SCHEMBL3488407 0.86 EGLN1 (0.39) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3487570 0.85 MMP13 (0.42) SMN1; SMN2MMP13KDM4EPOLBUSP2
SCHEMBL3487598 0.85 HTR2A (0.44) PGR
SCHEMBL3488473 0.84 MAPK14 (0.51)
SCHEMBL3488176 0.84 TEAD4 (0.46) SMN1; SMN2MMP13POLBALDH1A1
SCHEMBL3488035 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HPGD

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 4397/4885MTNR1B 344/4885MTNR1A 350/4885

“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.