SCHEMBL4388536

SCHEMBL4388536

Cc1c2ccoc2c(OCC[C@@H](C)c2ccccc2)c2oc(CN(C)C)cc(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 7/20 0.42
CYP1A1 P04798 3/20 0.36
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1B1 Q16678 2/20 0.36
HPGD P15428 1/20 0.36
PDE4A P27815 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 3/20 0.32
IGLV6-57 P01721 1/20 0.31
KCNA2 P16389 1/20 0.31
ABCB1 P08183 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4388540 1.00 KCNA3 (0.42) KCNA3CYP1A1CYP1A2ALDH1A1CYP3A4
SCHEMBL4390506 0.84 KCNA3 (0.46) KCNA3CYP1A1CYP1A2ALDH1A1CYP3A4
SCHEMBL3609571 0.78 CYP1A1 (0.47) KCNA3CYP1A1CYP1A2ALDH1A1CYP3A4
SCHEMBL4386012 0.78 KCNA3 (0.39) KCNA3CYP1A1CYP1A2ALDH1A1CYP3A4
SCHEMBL4391206 0.75 KCNA3 (0.55) KCNA3CYP1A1CYP1A2ALDH1A1CYP3A4
SCHEMBL4380645 0.72 KCNA3 (0.46) KCNA3CYP1A1CYP1A2ALDH1A1CYP3A4
SCHEMBL14221909 0.71
SCHEMBL4386477 0.71 KCNA3 (0.46) KCNA3CYP1A1CYP1A2ALDH1A1CYP3A4
SCHEMBL3607100 0.70 KCNA3 (0.61) KCNA3CYP1A1CYP1A2ALDH1A1CYP3A4
SCHEMBL3605592 0.69 KCNA2 (0.54) KCNA3KCNA2KCNA5

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-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-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 2/4885CYP1A1 2690/4885CYP1A2 3093/4885

“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.