SCHEMBL5577909

SCHEMBL5577909

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccc(SC)cc4)c3)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
CHRM3 P20309 7/20 0.50
WDR5 P61964 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NAMPT P43490 1/20 0.44
THRB P10828 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
SCHEMBL5577722 0.92 SMN1; SMN2 (0.55) SMN1; SMN2CHRM3WDR5ALDH1A1NAMPT
SCHEMBL5577458 0.91 CHRM3 (0.61) SMN1; SMN2CHRM3WDR5ALDH1A1
SCHEMBL5577493 0.91 SMN1; SMN2 (0.58) SMN1; SMN2CHRM3WDR5ALDH1A1LMNA
SCHEMBL5577397 0.90 ALDH1A1 (0.55) SMN1; SMN2CHRM3WDR5ALDH1A1
SCHEMBL5577893 0.89 SMN1; SMN2 (0.51) SMN1; SMN2CHRM3WDR5ALDH1A1
SCHEMBL5577524 0.88 NAMPT (0.51) SMN1; SMN2CHRM3WDR5ALDH1A1NAMPT
SCHEMBL5577442 0.88 CHRM3 (0.58) SMN1; SMN2CHRM3WDR5THRB
SCHEMBL5577509 0.87 CHRM3 (0.50) CHRM3WDR5ALDH1A1LMNANAMPT
SCHEMBL5577268 0.85 CHRM3 (0.49) CHRM3ALDH1A1THRB
SCHEMBL5577666 0.85 CHRM3 (0.52) SMN1; SMN2CHRM3WDR5LMNATHRB

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.