SCHEMBL3608841

SCHEMBL3608841

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 8/20 0.47
KCNA2 P16389 1/20 0.45
KCNA5 P22460 1/20 0.45
KCNA1 Q09470 1/20 0.45
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL3613546 0.90 KCNA3 (0.52) KCNA3KCNA2KCNA5KCNA1
SCHEMBL14221359 0.85 KCNA3 (0.51) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3608600 0.85 KCNA3 (0.51) KCNA3KCNA2KCNA5KCNA1
SCHEMBL13408305 0.85 KCNA3 (0.51) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3612488 0.85 KCNA3 (0.64) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3611946 0.84 KCNA3 (0.52) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3612930 0.84 ALDH1A1 (0.46) KCNA3KCNA2KCNA5KCNA1MEN1
SCHEMBL13408333 0.83 KCNA3 (0.52) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3606053 0.83 KCNA3 (0.49) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3603011 0.83 KCNA3 (0.48) 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 11 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
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO 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
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.