SCHEMBL3580321

SCHEMBL3580321

NC(=O)N(c1cc(F)cc(F)c1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
PARP1 P09874 2/20 0.36
PIN1 Q13526 1/20 0.33
GRK6 P43250 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
NPY5R Q15761 1/20 0.33
GRIN2B Q13224 3/20 0.33
KDR P35968 1/20 0.33
GRIN1 Q05586 1/20 0.33
SLC6A7 Q99884 1/20 0.32
S1PR5 Q9H228 1/20 0.32
BACE1 P56817 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
NOTUM Q6P988 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL6775462 0.88 KIF11 (0.39) KIF11PARP1PIN1GRK6PLG
SCHEMBL6775914 0.87 KIF11 (0.37) KIF11PARP1PLGPLAUPLAT
SCHEMBL6781865 0.84 MAP2K4 (0.39) KIF11PARP1PLGPLAUPLAT
SCHEMBL6782059 0.84 SCN9A (0.39) KIF11NPY5RKDR
SCHEMBL6770619 0.84 PARP1 (0.35) KIF11PARP1GRK6PLGPLAU
SCHEMBL6776008 0.84 MAP4K4 (0.38) KIF11PLGPLAUPLATSLC6A7
SCHEMBL6771095 0.83 NPBWR1 (0.34) KIF11PARP1GRK6KDR
SCHEMBL6771253 0.83 KEAP1 (0.39) KIF11
SCHEMBL6775671 0.82 IDH2 (0.36) KIF11
SCHEMBL6776081 0.81 RORC (0.35) PARP1KDR

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 2 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-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 (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-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 KIF11 3676/4885PARP1 3760/4885PIN1 1087/4885

“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.