SCHEMBL2178876

SCHEMBL2178876

COc1c(OCCC(C)c2ccc(F)cc2)c(OCCCl)c(C(C)=O)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1542471 0.90 L3MBTL1 (0.31) SMN1; SMN2L3MBTL1
SCHEMBL2180120 0.89 SMN1; SMN2 (0.34) KCNA3SMN1; SMN2L3MBTL1
SCHEMBL2179854 0.84 SMN1; SMN2 (0.36) KCNA3SMN1; SMN2L3MBTL1
SCHEMBL1541995 0.76 GRIN2D (0.39) KCNA3SMN1; SMN2
SCHEMBL3759772 0.76 KCNA3 (0.36) KCNA3
SCHEMBL3764771 0.76 KCNA3 (0.36) KCNA3
SCHEMBL27813900 0.76 L3MBTL1 (0.34) SMN1; SMN2L3MBTL1
SCHEMBL3757790 0.75 KCNA3 (0.38) KCNA3
SCHEMBL2179615 0.74 KCNA3 (0.32) KCNA3
SCHEMBL3391674 0.74 ALDH1A1 (0.37) KCNA3SMN1; SMN2

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-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
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 KCNA3 1/4885SMN1; SMN2 3154/4885L3MBTL1 3853/4885

“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.