SCHEMBL1542332

SCHEMBL1542332

COc1cc(Cl)c(C(C)=O)c(OC)c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KCNA3 P22001 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
ADCYAP1R1 P41586 1/20 0.35
KRAS P01116 1/20 0.34
ATM Q13315 1/20 0.34
PLAU P00749 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL1543309 0.91 GCGR (0.37) L3MBTL1SMN1; SMN2ALDH1A1GAAADCYAP1R1
SCHEMBL27833882 0.90 L3MBTL1 (0.36) L3MBTL1SMN1; SMN2ALDH1A1ADCYAP1R1KRAS
SCHEMBL3751717 0.88 KCNA3 (0.39) L3MBTL1KCNA3SMN1; SMN2ALDH1A1GAA
SCHEMBL3762026 0.81 KCNA3 (0.36) L3MBTL1KCNA3SMN1; SMN2ALDH1A1GAA
SCHEMBL3762890 0.80 KCNA3 (0.39) KCNA3ALDH1A1
SCHEMBL1542186 0.79 SMN1; SMN2 (0.38) L3MBTL1SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL3754173 0.78 KCNA3 (0.35) KCNA3
SCHEMBL2177920 0.77 SMN1; SMN2 (0.33) L3MBTL1SMN1; SMN2GAAADCYAP1R1
SCHEMBL27800943 0.77 SMN1; SMN2 (0.36) L3MBTL1SMN1; SMN2ALDH1A1GAAKRAS
SCHEMBL3759772 0.76 KCNA3 (0.36) KCNA3

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 9 patents. 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-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 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
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 WO disclosed
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 L3MBTL1 3853/4885KCNA3 1/4885SMN1; SMN2 3154/4885

“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.