SCHEMBL5577455

SCHEMBL5577455

Cc1cccc(C(=O)NCc2cccc(C3=CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.57
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
WDR5 P61964 1/20 0.49
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL5577393 0.93 CHRM3 (0.55) CHRM3WDR5ALDH1A1GAAHSD17B10
SCHEMBL5577540 0.89 CHRM3 (0.51) CHRM3
SCHEMBL5577765 0.87 CHRM3 (0.47) CHRM3
SCHEMBL5577813 0.87 CHRM3 (0.58) CHRM3WDR5
SCHEMBL5577371 0.87 CHRM3 (0.58) CHRM3WDR5
SCHEMBL5577442 0.84 CHRM3 (0.58) CHRM3WDR5
SCHEMBL5577708 0.80 CHRM3 (0.54) CHRM3WDR5ALDH1A1
SCHEMBL5577729 0.80 CHRM3 (0.60) CHRM3WDR5ALDH1A1GAA
SCHEMBL5577732 0.79 CHRM3 (0.65) CHRM3WDR5
SCHEMBL5577772 0.79 KDM4E (0.54) CHRM3ALDH1A1

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 CHRM3 2099/4885CA1 507/4885CA2 1725/4885

“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.