SCHEMBL1541608

SCHEMBL1541608

COc1cc(Cl)c(C(C)=O)c(OC)c1OCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.51
SCN9A Q15858 1/20 0.48
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
MTNR1B P49286 1/20 0.43
ALOX5 P09917 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42

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
SCHEMBL1542014 0.89 PDE4D (0.48) PDE4DSCN9APDE4APDE4BPDE4C
SCHEMBL27833932 0.88 PDE4D (0.52) PDE4DSCN9APDE4APDE4BPDE4C
SCHEMBL3762438 0.79 ALOX5 (0.50) PDE4DSCN9APDE4APDE4BPDE4C
SCHEMBL1541828 0.76 SMN1; SMN2 (0.47) PDE4DSCN9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL9972730 0.75 SMN1; SMN2 (0.44) SCN9ASMN1; SMN2L3MBTL1
SCHEMBL3757808 0.75 PDE4D (0.45) PDE4DSCN9AALOX5
SCHEMBL3757784 0.74 SMN1; SMN2 (0.43) SMN1; SMN2
SCHEMBL2179672 0.73 LMNA (0.41) PDE4DSCN9APDE4APDE4BPDE4C
SCHEMBL3763110 0.73 PDE4D (0.43) PDE4DSCN9AMTNR1BLMNASMN1; SMN2
SCHEMBL1542896 0.72 SCN9A (0.40) PDE4DSCN9AMTNR1BLMNASMN1; 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 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 PDE4D 890/4885SCN9A 108/4885PDE4A 922/4885

“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.