SCHEMBL4118136

SCHEMBL4118136

O=C(Nc1ccc(OC(F)F)cc1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.70
KMT2A Q03164 10/20 0.70
HTT P42858 9/20 0.70
MAPT P10636 8/20 0.70
NPSR1 Q6W5P4 3/20 0.70
TP53 P04637 1/20 0.70
CASP3 P42574 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
POLB P06746 2/20 0.68
DDX3X O00571 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
GAA P10253 2/20 0.63
LMNA P02545 6/20 0.63
MAPK1 P28482 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
BAZ1A Q9NRL2 2/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA5A P35218 1/20 0.60

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
SCHEMBL4106000 0.92 MEN1 (0.71) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL4116113 0.89 MEN1 (0.67) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL4104480 0.87 MEN1 (0.75) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL4113827 0.84 MAPT (0.75) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL1047211 0.82 MEN1 (1.00) MEN1KMT2AHTTMAPTPOLB
SCHEMBL29494985 0.81 MEN1 (0.79) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL22092547 0.81 MEN1 (0.79) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL6129390 0.81 MEN1 (0.90) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL17084065 0.81 MEN1 (0.96) MEN1KMT2AHTTMAPTPOLB
SCHEMBL4117378 0.80 MAPT (0.70) MEN1KMT2AHTTMAPTNPSR1

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-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 MEN1 3273/4885KMT2A 2807/4885HTT 1736/4885

“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.