SCHEMBL3967228

SCHEMBL3967228

O=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2ccc(Br)s2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.61
KCNQ1 P51787 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
SCHEMBL3958649 0.91 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL3962944 0.90 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
SCHEMBL3959935 0.90 KCNH2 (0.61) KCNH2
SCHEMBL3960764 0.88 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
SCHEMBL3967267 0.87 KCNH2 (0.68) KCNH2KCNQ1CACNA1C
SCHEMBL3963891 0.87 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL3962526 0.85 KCNH2 (0.45) KCNH2KCNQ1CACNA1C
SCHEMBL3962518 0.84 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
SCHEMBL3958798 0.83 KCNH2 (0.71) KCNH2
SCHEMBL3963991 0.83 KCNH2 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US claimed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
EP-2080761-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-07-22 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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 KCNH2 3252/4885KCNQ1 3343/4885CACNA1C 4658/4885

“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.