SCHEMBL3583832

SCHEMBL3583832

N#Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
AR P10275 3/20 0.49
CTSS P25774 2/20 0.49
MAOB P27338 1/20 0.47
KDM1A O60341 1/20 0.46
PRKACA P17612 4/20 0.45
PRKACG P22612 4/20 0.45
PRKACB P22694 4/20 0.45
KIF11 P52732 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CTSK P43235 1/20 0.43
XDH P47989 1/20 0.43
PGR P06401 1/20 0.43
NAAA Q02083 1/20 0.41

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
SCHEMBL2167740 0.85 KIF11 (0.57) KDM4EALDH1A1ARPRKACAPRKACG
SCHEMBL25983833 0.82 CTSS (0.53) KDM4EALDH1A1GAAARCTSS
SCHEMBL165877 0.81 ALOX5AP (0.44) KDM4EALDH1A1GAAARKIF11
SCHEMBL29646422 0.81 ALOX5AP (0.44) KDM4EALDH1A1GAAARKIF11
SCHEMBL115693 0.80 MAOB (0.54) ALDH1A1GAAMAOBKDM1AKIF11
SCHEMBL5072719 0.79 TDP1 (0.48) KDM4EALDH1A1GAAARPRKACA
SCHEMBL3879887 0.79 TAAR1 (0.55) KDM4EARPRKACAPRKACGPRKACB
SCHEMBL9205171 0.78 CYP11B2 (0.50) KDM4EALDH1A1GAAARCTSS
SCHEMBL5302056 0.78 MCL1 (0.50) KDM4EALDH1A1GAAPRKACAPRKACG
SCHEMBL25983856 0.77 AR (0.51) KDM4EALDH1A1GAAARCTSS

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 8 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
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 (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 KDM4E 604/4885ALDH1A1 418/4885GAA 1448/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 KDM4E 2482/4885ALDH1A1 1167/4885GAA 2528/4885

“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.