SCHEMBL3601017

SCHEMBL3601017

CC(=O)c1c(OCCN2CCCC2)c(OCCCc2ccccc2)c2occc2c1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 6/20 0.46
KCNA2 P16389 1/20 0.45
KCNA5 P22460 1/20 0.45
KCNA1 Q09470 1/20 0.45
ABCB1 P08183 2/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
S1PR5 Q9H228 1/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL3616673 0.99 ABCB1 (0.46) KCNA3KCNA2KCNA5KCNA1ABCB1
SCHEMBL13408304 0.94 KCNA3 (0.46) KCNA3KCNA2KCNA5KCNA1ALDH1A1
SCHEMBL3614647 0.93 MEN1 (0.48) KCNA3KCNA2KCNA5KCNA1ABCB1
SCHEMBL14221360 0.91 LTA4H (0.42) KCNA3ABCB1ALDH1A1SMN1; SMN2LTA4H
SCHEMBL3608694 0.89 ABCB1 (0.46) KCNA3KCNA2KCNA5KCNA1ABCB1
SCHEMBL3618490 0.88 ABCB1 (0.50) KCNA3KCNA2KCNA5KCNA1ABCB1
SCHEMBL3613546 0.85 KCNA3 (0.52) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3604691 0.85 KCNA3 (0.46) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3608600 0.84 KCNA3 (0.51) KCNA3KCNA2KCNA5KCNA1
SCHEMBL14221359 0.84 KCNA3 (0.51) KCNA3KCNA2KCNA5KCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US claimed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US claimed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO 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-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 KCNA3 1/4885KCNA2 31/4885KCNA5 21/4885

“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.