SCHEMBL3608161

SCHEMBL3608161

CC(=O)c1c(OCCNC2CCCC2)c(OCCC(C)c2ccccc2)c2occc2c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA3 P22001 7/20 0.41
KCNA2 P16389 1/20 0.37
KCNA5 P22460 1/20 0.37
KCNA1 Q09470 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL3604230 0.92 KCNA3 (0.42) ALDH1A1HTTSMN1; SMN2KCNA3KDM4E
SCHEMBL14221406 0.92 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2KCNA3KDM4E
SCHEMBL3612930 0.85 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2KCNA3KCNA2
SCHEMBL3605592 0.80 KCNA2 (0.54) KCNA3KCNA2KCNA5KCNA1
SCHEMBL4395703 0.80 KCNA2 (0.54) KCNA3KCNA2KCNA5KCNA1
SCHEMBL3613725 0.79 KCNA3 (0.44) ALDH1A1HTTSMN1; SMN2KCNA3KDM4E
SCHEMBL13408335 0.79 MEN1 (0.46) ALDH1A1KCNA3KDM4EPOLB
SCHEMBL3612683 0.79 KCNA3 (0.43) KCNA3KCNA2KCNA5KCNA1
SCHEMBL14221429 0.77 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2KCNA3KDM4E
SCHEMBL2177457 0.75 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2KDM4ETDP1

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
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 ALDH1A1 2900/4885HTT 1658/4885SMN1; SMN2 2141/4885

“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.