SCHEMBL13408335

SCHEMBL13408335

CC(=O)c1c(OCCN2CCOCC2)c(OCC[C@@H](C)c2ccccc2)c2occc2c1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNA3 P22001 6/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 1/20 0.39
LDHA P00338 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
SCHEMBL3606190 1.00 MEN1 (0.46) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL14221420 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL13442788 0.86 KCNA3 (0.55) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL3614647 0.85 MEN1 (0.48) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL3609717 0.84 MEN1 (0.43) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL3600871 0.84 MEN1 (0.45) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL3600879 0.84 MEN1 (0.45) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL3607871 0.84 MEN1 (0.45) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL13442823 0.83 MEN1 (0.44) MEN1KMT2AKCNA3ALDH1A1KDM4E
SCHEMBL3602360 0.83 MEN1 (0.46) MEN1KMT2AKCNA3ALDH1A1KDM4E

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 4 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 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

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.