SCHEMBL3609571

SCHEMBL3609571

Cc1cc(=O)c2c(C)c3ccoc3c(OCCC(C)c3ccc(F)cc3)c2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNA3 P22001 11/20 0.47
ADORA3 P0DMS8 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
KCNA5 P22460 2/20 0.34
KCNA2 P16389 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL3618640 0.85 KCNA3 (0.58) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL4387496 0.83 KCNA3 (0.52) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL3615938 0.79 CYP1A1 (0.57) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL4388540 0.78 KCNA3 (0.42) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL4388536 0.78 KCNA3 (0.42) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL3615942 0.75 KCNA3 (0.56) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL3607100 0.75 KCNA3 (0.61) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL3608293 0.74 KCNA3 (0.48) KCNA3KCNA5KCNA2
SCHEMBL3609628 0.74 CYP3A4 (0.82) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL3615927 0.73 KCNA3 (0.56) CYP1A1CYP3A4HPGDMAPK1ALDH1A1

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 8 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-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 CYP1A1 2562/4885CYP3A4 2204/4885HPGD 3397/4885

“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.