SCHEMBL3328060

SCHEMBL3328060

Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 8/20 0.38
NOTUM Q6P988 1/20 0.36
ABL1 P00519 5/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
KCNH2 Q12809 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
GSK3B P49841 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL3329979 0.83 KIF11 (0.41)
SCHEMBL21071976 0.81 NOTUM (0.36) SCN5ANOTUMABL1CCNT1CCNA2
SCHEMBL3274060 0.81 IKBKB (0.35) ABL1CDK2GSK3B
SCHEMBL13404775 0.79 JAK2 (0.41) GSK3B
SCHEMBL3273740 0.78 IDO1 (0.44) KCNH2GSK3B
SCHEMBL3583617 0.78 SMN1; SMN2 (0.38)
SCHEMBL3584128 0.77 IKBKB (0.43) NOTUMSCN2A
SCHEMBL4399579 0.76 CREBBP (0.36) NOTUMSCN9AALOX5APFEN1
SCHEMBL4025859 0.74 MKNK1 (0.44)
SCHEMBL27363041 0.74 ALDH1A1 (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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155700-B1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH AS (DK) 2010-10-06 EP disclosed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-7691891-B2 Diphenylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2010-04-06 US disclosed
EP-2155700-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-24 EP disclosed
EP-2152677-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-17 EP disclosed
WO-2008135447-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
WO-2008135448-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
EP-1638948-B1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2008-10-15 EP disclosed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
EP-1827411-A2 DIPHENYLUREA DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2007-09-05 EP disclosed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 US disclosed
WO-2006064015-A2 DIPHENYLUREA DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2006-06-22 WO disclosed
EP-1638948-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2006-03-29 EP disclosed
WO-2004111017-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-12-23 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 (4 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 SCN5A 313/4885NOTUM 3060/4885ABL1 3358/4885
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS KCNAB1, KCNJ2, KCNN3 SCN5A 76/4885NOTUM 2436/4885ABL1 4659/4885
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ1, KCNN2 SCN5A 80/4885NOTUM 2966/4885ABL1 3803/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 SCN5A 145/4885NOTUM 1065/4885ABL1 1035/4885

“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.