SCHEMBL5033704

SCHEMBL5033704

COC(=O)c1ccc(OC)c([C@H]2N[C@@H](C(=O)OC)Cc3c2[nH]c2ccccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.64
CCKBR P32239 2/20 0.60
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 2/20 0.60
TSHR P16473 2/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
ALOX12 P18054 1/20 0.57
CYP2D6 P10635 3/20 0.56
CYP2C19 P33261 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL14122143 0.88 PDE5A (0.67) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL4047718 0.88 CCKBR (0.71) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL14122016 0.88 PDE5A (0.67) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL14121883 0.88 PDE5A (0.67) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL14121446 0.88 PDE5A (0.67) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL13402901 0.84 CCKBR (0.80) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL13402856 0.84 CCKBR (0.80) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL13402897 0.84 CCKBR (0.80) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL3482943 0.84 CCKBR (0.80) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL8167872 0.84 CCKBR (0.80) PDE5ACCKBRKDM4EHSD17B10TSHR

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
US-20080114017-A1 Novel Indolopyridines, Benzofuranopyridines and Benzothienopyridines 4SC AG (DE) 2008-05-15 US disclosed
EP-1844046-A1 NOVEL INDOLOPYRIDINES, BENZOFURANOPYRIDINES AND BENZOTHIENOPYRIDINES Nycomed GmbH (DE) 2007-10-17 EP disclosed
WO-2006079645-A1 NOVEL INDOLOPYRIDINES , BENZOFURANOPYRIDINES AND BENZOTHIENOPYRIDINES NYCOMED GMBH (DE) 2006-08-03 WO 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-20080114017-A1 Novel Indolopyridines, Benzofuranopyridines and Benzothienopyridines BAX, API5, AIFM1 PDE5A 2323/4885CCKBR 1839/4885KDM4E 2572/4885

“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.