SCHEMBL3767783

SCHEMBL3767783

COc1c(Cl)c(C)c(C(C)=O)c(O)c1OCCCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA2 P16389 1/20 0.39
KCNA4 P22459 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNA1 Q09470 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNA3 P22001 4/20 0.37
LMNA P02545 1/20 0.37
PDE4D Q08499 2/20 0.36
GAA P10253 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL3757808 0.89 PDE4D (0.45) KCNA2KCNA5KCNA1KCNA3PDE4D
SCHEMBL3752069 0.86 KCNA3 (0.38) KCNA3LMNAPDE4DCNR1CNR2
SCHEMBL3754173 0.82 KCNA3 (0.35) KCNA2KCNA4KCNA5KCNA1KCNH2
SCHEMBL3754114 0.80 KCNA3 (0.41) KCNA3LMNAGAA
SCHEMBL9972731 0.79 ALDH1A1 (0.43) CNR1CNR2
SCHEMBL3756873 0.79 MEN1 (0.42)
SCHEMBL3757791 0.79 MET (0.41) CNR1CNR2
SCHEMBL3421814 0.77 PTGS1 (0.35) PDE4DGAACNR1CNR2
SCHEMBL3615123 0.76 KCNA3 (0.51) KCNA2KCNA4KCNA5KCNA1KCNH2
SCHEMBL9972730 0.75 SMN1; SMN2 (0.44) KCNA3GAACNR1CNR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNH3 KCNA2 27/4885KCNA4 28/4885KCNA5 21/4885

“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.