SCHEMBL3584128

SCHEMBL3584128

Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
KDM1A O60341 1/20 0.42
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
BRD4 O60885 1/20 0.40
SCN2A Q99250 3/20 0.40
MAOB P27338 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
XDH P47989 1/20 0.40
EPHX2 P34913 1/20 0.39
NOTUM Q6P988 2/20 0.39
KIF11 P52732 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
IDO1 P14902 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
PDPK1 O15530 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL3329979 0.88 KIF11 (0.41) KIF11
SCHEMBL13404775 0.82 JAK2 (0.41) IKBKBMAOB
SCHEMBL703748 0.82 SCN2A (0.53) IKBKBADORA2AADORA1BRD4SCN2A
SCHEMBL3274060 0.78 IKBKB (0.35) IKBKBIDO1
SCHEMBL6777326 0.77 KIF11 (0.44) KIF11
SCHEMBL3328060 0.77 SCN5A (0.38) SCN2ANOTUM
SCHEMBL11357927 0.76 FEN1 (0.39) EPHX2KIF11TSHRMAPK1
SCHEMBL3273740 0.75 IDO1 (0.44) IKBKBIDO1TSHRMAPK1
SCHEMBL3583617 0.75 SMN1; SMN2 (0.38) IDO1TSHR
SCHEMBL7211249 0.74 NOTUM (0.41) IKBKBADORA2AADORA1BRD4SCN2A

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 IKBKB 124/4885KDM1A 501/4885ADORA2A 1036/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 IKBKB 1011/4885KDM1A 3172/4885ADORA2A 1266/4885

“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.