SCHEMBL2178729

SCHEMBL2178729

CC(=O)c1c(OCCNC(=O)OC(C)(C)C)c(OCCC(C)c2ccc(F)cc2)c2oc(C)nc2c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A43 Q9HB55 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
BRD4 O60885 1/20 0.31
MKNK2 Q9HBH9 5/20 0.31
PDK2 Q15119 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2176322 0.90 GAA (0.34) GAA
SCHEMBL12409151 0.88
SCHEMBL12409108 0.88 NR1H4 (0.30)
SCHEMBL12489421 0.85
SCHEMBL2178824 0.85 KCNA3 (0.32)
SCHEMBL12409102 0.85 METAP2 (0.33)
SCHEMBL12409194 0.85
SCHEMBL2178974 0.85 KCNA3 (0.37)
SCHEMBL2178939 0.83 KCNA3 (0.31) CYP2D6
SCHEMBL2177457 0.83 ALDH1A1 (0.37) POLBMEN1TSHRKMT2A

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 5 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-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 SCN9A 108/4885POLB 4507/4885GAA 3476/4885

“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.