SCHEMBL3029093

SCHEMBL3029093

COc1ccc2ncc(=O)n(-c3ccc4c(c3)CCCC4CNCc3cc4c(nn3)OCCO4)c2n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.42
KDM4C Q9H3R0 2/20 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
Hydrochloric Acid SCHEMBL3027523 0.99 KCNH2 (0.42) KCNH2KDM4C
SCHEMBL3016117 0.91 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL3022236 0.90 KCNH2 (0.51) KCNH2
SCHEMBL3025294 0.82 KCNH2 (0.46) KCNH2
Hydrochloric Acid SCHEMBL3026675 0.81 KCNH2 (0.45) KCNH2
SCHEMBL3025855 0.79 KDM4C (0.41) KCNH2KDM4C
SCHEMBL3008846 0.79 HTR6 (0.41) KCNH2
Hydrochloric Acid SCHEMBL3016388 0.78 HTR6 (0.41) KCNH2
SCHEMBL13213622 0.78 KCNH2 (0.49) KCNH2
Hydrochloric Acid SCHEMBL3027004 0.77 KCNH2 (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US claimed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP claimed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO claimed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
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 2445/4885KDM4C 3322/4885

“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.