SCHEMBL3754114

SCHEMBL3754114

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 6/20 0.41
LMNA P02545 2/20 0.38
MAOB P27338 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.35
FPR2 P25090 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
SCHEMBL3392598 0.84 MEN1 (0.44)
SCHEMBL3752069 0.82 KCNA3 (0.38) KCNA3LMNAMAOB
SCHEMBL9972730 0.82 SMN1; SMN2 (0.44) KCNA3GAASMN1; SMN2SCN9A
SCHEMBL3767783 0.80 KCNA2 (0.39) KCNA3LMNAGAA
SCHEMBL27821777 0.80 GAA (0.34) LMNAGAASMN1; SMN2SCN9AFPR2
SCHEMBL3762890 0.80 KCNA3 (0.39) KCNA3
SCHEMBL3757784 0.79 SMN1; SMN2 (0.43) KCNA3GAASMN1; SMN2
SCHEMBL3757791 0.76 MET (0.41) SMN1; SMN2SCN9A
SCHEMBL9972731 0.75 ALDH1A1 (0.43) SMN1; SMN2
SCHEMBL3756873 0.75 MEN1 (0.42)

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 KCNA3 1/4885LMNA 2758/4885MAOB 995/4885

“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.