SCHEMBL3609717

SCHEMBL3609717

CC(=O)c1c(OCCN2CCOCC2)c(OC(C)CCc2ccccc2)c2occc2c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNA3 P22001 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KCNA2 P16389 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNA1 Q09470 1/20 0.40
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL14221425 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1ABCB1POLB
SCHEMBL3614647 0.88 MEN1 (0.48) MEN1KMT2AKCNA3ALDH1A1KCNA2
SCHEMBL13442788 0.86 KCNA3 (0.55) MEN1KMT2AKCNA3ALDH1A1KCNA2
SCHEMBL3608694 0.85 ABCB1 (0.46) MEN1KMT2AKCNA3KCNA2KCNA5
SCHEMBL3606190 0.84 MEN1 (0.46) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL13408335 0.84 MEN1 (0.46) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL3618490 0.84 ABCB1 (0.50) MEN1KMT2AKCNA3KCNA2KCNA5
SCHEMBL13442823 0.83 MEN1 (0.44) MEN1KMT2AKCNA3ALDH1A1KCNA2
SCHEMBL3613819 0.83 MEN1 (0.44) MEN1KMT2AKCNA3ALDH1A1KCNA2
SCHEMBL3601017 0.81 KCNA3 (0.46) KCNA3ALDH1A1KCNA2KCNA5KCNA1

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 10 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

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 MEN1 3359/4885KMT2A 847/4885KCNA3 1/4885

“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.