SCHEMBL1543906

SCHEMBL1543906

CC(CCBr)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
DAO P14920 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
RIPK1 Q13546 1/20 0.35
TRPA1 O75762 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL11488183 0.94 CYP17A1 (0.39) AOC3
SCHEMBL3756197 0.88 CACNA1B (0.35) AOC3HTTIDO1TDO2RIPK1
SCHEMBL5871371 0.82 AOC3 (0.38) AOC3HTTIDO1TDO2TRPA1
SCHEMBL18286641 0.80 ALDH1A1 (0.44) AOC3HTTIDO1TDO2
SCHEMBL21503575 0.80 ALDH1A1 (0.44) AOC3HTTIDO1TDO2
SCHEMBL782013 0.80 ALDH1A1 (0.44) AOC3HTTIDO1TDO2
SCHEMBL14658424 0.80 ACHE (0.46) RIPK1MAOAMAOB
SCHEMBL12287009 0.78 ADRB2 (0.46) AOC3IDO1TDO2RIPK1
SCHEMBL4916342 0.78 ESR1 (0.55)
SCHEMBL1960013 0.78 TRPA1 (0.46) AOC3HTTTRPA1MAOAMAOB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 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-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
WO-2012109458-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2012-08-16 WO disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
EP-2303850-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF Bionomics Limited (AU) 2011-04-06 EP disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
EP-2197832-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF Bionomics Limited (AU) 2010-06-23 EP 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-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 WO disclosed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 WO disclosed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 WO 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 (3 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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNH3 AOC3 1190/4885DAO 2482/4885HTT 1097/4885
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 AOC3 2353/4885DAO 3120/4885HTT 1658/4885
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 AOC3 2464/4885DAO 3214/4885HTT 1444/4885

“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.