SCHEMBL5577893

SCHEMBL5577893

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccncc4)c3)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
CHRM3 P20309 6/20 0.49
WDR5 P61964 2/20 0.49
ROCK2 O75116 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
ROCK1 Q13464 2/20 0.49
CYP2D6 P10635 1/20 0.46
PRKACA P17612 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PRKX P51817 1/20 0.46
PRKCQ Q04759 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ALDH1A1 P00352 2/20 0.45
AURKA O14965 1/20 0.45
MAPT P10636 1/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5577493 0.92 SMN1; SMN2 (0.58) SMN1; SMN2CHRM3WDR5ALDH1A1
SCHEMBL5577722 0.92 SMN1; SMN2 (0.55) SMN1; SMN2CHRM3WDR5ALDH1A1
SCHEMBL5577458 0.91 CHRM3 (0.61) SMN1; SMN2CHRM3WDR5ALDH1A1
SCHEMBL5577397 0.90 ALDH1A1 (0.55) SMN1; SMN2CHRM3WDR5ALDH1A1
SCHEMBL5577442 0.89 CHRM3 (0.58) SMN1; SMN2CHRM3WDR5ROCK2
SCHEMBL5577909 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CHRM3WDR5ALDH1A1
SCHEMBL5577524 0.88 NAMPT (0.51) SMN1; SMN2CHRM3WDR5ROCK2CYP3A4
SCHEMBL5577883 0.85 CHRM3 (0.55) SMN1; SMN2CHRM3WDR5MAPT
SCHEMBL5577404 0.85 CHRM3 (0.50) SMN1; SMN2CHRM3WDR5ROCK2CYP3A4
SCHEMBL5577666 0.84 CHRM3 (0.52) SMN1; SMN2CHRM3WDR5MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C SMN1; SMN2 2012/4885CHRM3 2099/4885WDR5 3319/4885

“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.