SCHEMBL3601089

SCHEMBL3601089

Cc1cc(=O)c2c(C)c3ccoc3c(O)c2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP1A1 P04798 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP1B1 Q16678 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 1/20 0.53
PDE4A P27815 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1341546 0.90 CYP3A4 (0.55) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL1344606 0.83 CYP3A4 (0.78) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL10300855 0.82 CYP3A4 (0.53) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL3609628 0.80 CYP3A4 (0.82) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL1343992 0.75 CYP3A4 (0.78) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL3615938 0.74 CYP1A1 (0.57) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL3614195 0.72 HPGD (0.66) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL10300856 0.71 CYP3A4 (0.82) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL12133302 0.71 CYP3A4 (0.56) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD
SCHEMBL3607100 0.70 KCNA3 (0.61) CYP3A4CYP1A2CYP1A1SMN1; SMN2HPGD

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 16 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-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 US disclosed
US-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 US disclosed
US-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 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
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 US disclosed
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 US disclosed
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 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
WO-2008040058-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO disclosed
WO-2008040058-A1 NOVEL CHROMENONE 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 (2 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 CYP3A4 2204/4885CYP1A2 3585/4885CYP1A1 2562/4885
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNK3, KCNA3, KCND3 CYP3A4 2101/4885CYP1A2 3093/4885CYP1A1 2690/4885

“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.