SCHEMBL6080751

SCHEMBL6080751

COc1cc(F)c2ncc(F)c(CCN3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](O)C3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.58
SLC2A1 P11166 1/20 0.49
KCNQ1 P51787 1/20 0.49
CACNA1C Q13936 1/20 0.49

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
SCHEMBL6080746 1.00 KCNH2 (0.58) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL6079953 0.99 KCNH2 (0.58) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL6079958 0.99 KCNH2 (0.58) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL5744232 0.92 KCNH2 (0.63) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL5744235 0.92 KCNH2 (0.63) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL5744230 0.92 KCNH2 (0.63) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL6078820 0.90 KCNH2 (0.63) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL6078814 0.90 KCNH2 (0.63) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL6078808 0.90 KCNH2 (0.63) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL6079668 0.89 KCNH2 (0.72) KCNH2SLC2A1KCNQ1CACNA1C

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-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885SLC2A1 4409/4885KCNQ1 1816/4885

“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.