SCHEMBL3612930

SCHEMBL3612930

CC(=O)c1c(OCCNC2CCCC2)c(OCCCc2ccccc2)c2occc2c1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
KCNA3 P22001 6/20 0.44
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
KCNA2 P16389 1/20 0.43
KCNA5 P22460 1/20 0.43
KCNA1 Q09470 1/20 0.43
MEN1 O00255 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
EPHX1 P07099 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3613725 0.91 KCNA3 (0.44) ALDH1A1SMN1; SMN2HTTKCNA3KDM4E
SCHEMBL14221429 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTKCNA3KDM4E
SCHEMBL3608161 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTKCNA3KDM4E
SCHEMBL3608841 0.84 KCNA3 (0.47) KCNA3KMT2AKCNA2KCNA5KCNA1
SCHEMBL3613546 0.83 KCNA3 (0.52) KCNA3KCNA2KCNA5KCNA1
SCHEMBL14221403 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HTTKCNA3KDM4E
SCHEMBL3606053 0.82 KCNA3 (0.49) KCNA3KCNA2KCNA5KCNA1
SCHEMBL14221359 0.82 KCNA3 (0.51) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3608600 0.82 KCNA3 (0.51) KCNA3KCNA2KCNA5KCNA1
SCHEMBL13408305 0.82 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 ALDH1A1 2900/4885SMN1; SMN2 2141/4885HTT 1658/4885

“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.