SCHEMBL3024644

SCHEMBL3024644

COc1ccc2ncc(=O)n(-c3cnc4c(c3)C[C@H](O)[C@H](NCc3ccc5c(n3)NC(=O)CO5)C4)c2n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.49
KCNQ1 P51787 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
SCHEMBL3024649 1.00 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
SCHEMBL3024642 1.00 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3009283 0.99 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3009290 0.99 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3009280 0.99 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
SCHEMBL3024723 0.87 KCNH2 (0.54) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3022269 0.87 KCNH2 (0.54) KCNH2KCNQ1CACNA1C
SCHEMBL13213657 0.84 KCNH2 (0.55) KCNH2KCNQ1CACNA1C
SCHEMBL3021564 0.83 KCNH2 (0.54) KCNH2
SCHEMBL3021570 0.83 KCNH2 (0.54) KCNH2

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-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US claimed
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 2445/4885KCNQ1 3181/4885CACNA1C 2029/4885

“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.