SCHEMBL3018419

SCHEMBL3018419

COc1ccc2ncc(=O)n(-c3nc4c(s3)CC(NC(=O)O)CC4)c2n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
SCN3A Q9NY46 2/20 0.36
SCN4A P35499 1/20 0.36
SCN9A Q15858 1/20 0.34
GSK3B P49841 2/20 0.34
CSNK2A1 P68400 2/20 0.34
F2 P00734 4/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL3022784 0.84 KCNH2 (0.34) KCNH2LMNAMAPTTHRB
SCHEMBL3026946 0.82 KCNH2 (0.37) KCNH2
SCHEMBL3030115 0.79 KCNH2 (0.38) KCNH2
SCHEMBL3724333 0.78 CYP1A2 (0.35) KCNH2LMNA
SCHEMBL3016352 0.77 KCNH2 (0.49) KCNH2
Hydrochloric Acid SCHEMBL3019094 0.77 KCNH2 (0.48) KCNH2
SCHEMBL3724335 0.76 CYP1A2 (0.34) KCNH2LMNA
SCHEMBL19692444 0.73 CYP1A2 (0.52) KCNH2
SCHEMBL19691748 0.73 CYP1A2 (0.52) KCNH2
SCHEMBL3025097 0.69 GSK3B (0.42) SCN3ASCN4ASCN9AGSK3BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH KCNH2 2445/4885SCN3A 3139/4885SCN4A 3401/4885

“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.