SCHEMBL4127905

SCHEMBL4127905

CCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.70
KMT2A Q03164 9/20 0.70
MAPT P10636 8/20 0.70
MAPK1 P28482 3/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
MYOC Q99972 1/20 0.70
ALDH1A1 P00352 3/20 0.67
POLB P06746 4/20 0.67
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PTGS2 P35354 1/20 0.60
CYP1A2 P05177 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PABPC1 P11940 1/20 0.58

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
SCHEMBL4111727 0.89 MAPT (0.71) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL4106750 0.87 MEN1 (0.68) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL4117970 0.87 MEN1 (0.62) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL10576308 0.86 MAPT (0.86) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL11348624 0.84 PTGS2 (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL45896 0.84 PTGS2 (0.80) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL4128446 0.83 MEN1 (0.77) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL11004478 0.83 MEN1 (1.00) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL6302157 0.82 MEN1 (1.00) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL1177730 0.82 MEN1 (1.00) MEN1KMT2AMAPTMAPK1NPC1

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 2807/4885MAPT 1654/4885

“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.