SCHEMBL4386477

SCHEMBL4386477

Cc1c2ccoc2c(OCCCc2ccccc2)c2oc(CS(C)(=O)=O)cc(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 11/20 0.46
KCNA5 P22460 4/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39

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
SCHEMBL4390506 0.86 KCNA3 (0.46) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4
SCHEMBL4380645 0.86 KCNA3 (0.46) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4
SCHEMBL3607100 0.85 KCNA3 (0.61) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4
SCHEMBL4383106 0.81 KCNA3 (0.43) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4
SCHEMBL4386476 0.79 KCNA3 (0.37) KCNA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4386012 0.77 KCNA3 (0.39) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4
SCHEMBL4391206 0.76 KCNA3 (0.55) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4
SCHEMBL4386530 0.76 KCNA3 (0.59) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4
SCHEMBL4387496 0.76 KCNA3 (0.52) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4
SCHEMBL3612950 0.75 KCNA3 (0.53) KCNA3KCNA5ALDH1A1CYP1A2CYP3A4

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-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 US claimed
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 US claimed
WO-2008040058-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO claimed
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-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-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 (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-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNK3, KCNA3, KCND3 KCNA3 2/4885KCNA5 32/4885ALDH1A1 3858/4885

“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.