SCHEMBL3581452

SCHEMBL3581452

N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
PGR P06401 1/20 0.46
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
SCN5A Q14524 3/20 0.41
ADORA1 P30542 2/20 0.39
TRPA1 O75762 2/20 0.39
SCN9A Q15858 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KIF11 P52732 2/20 0.38
DHODH Q02127 1/20 0.38
KDM5A P29375 1/20 0.37
PRKACA P17612 3/20 0.37
PRKACG P22612 3/20 0.37
PRKACB P22694 3/20 0.37
ADORA2A P29274 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL30167535 0.87 GPR3 (0.41) ARPGRSCN5AADORA1TRPA1
SCHEMBL186226 0.87 GPR3 (0.41) ARPGRSCN5AADORA1TRPA1
SCHEMBL24024734 0.80 MEN1 (0.54) AURKATPX2SCN5ACA12CA9
SCHEMBL12953430 0.79 CYP11B1 (0.51) ARPGRKIF11
SCHEMBL5072719 0.79 TDP1 (0.48) ARPRKACAPRKACGPRKACBMEN1
SCHEMBL2167740 0.79 KIF11 (0.57) ARPGRKIF11PRKACAPRKACG
SCHEMBL28698753 0.78 MAPT (0.38) SCN5AADORA1TRPA1SCN9AKDM5A
SCHEMBL23831366 0.77 SCN5A (0.41) ARPGRSCN5AADORA1TRPA1
SCHEMBL3574934 0.76 CYP11B1 (0.50) ADORA1PRKACAPRKACGPRKACBADORA2A
SCHEMBL20329163 0.76 STS (0.44) ARPGRSCN5AADORA1TRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691891-B2 Diphenylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2010-04-06 US disclosed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 US 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 (2 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 AR 1936/4885PGR 1849/4885AURKA 2698/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 AR 4545/4885PGR 3588/4885AURKA 4416/4885

“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.