SCHEMBL4128446

SCHEMBL4128446

COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.77
KMT2A Q03164 11/20 0.77
MAPT P10636 7/20 0.77
NPC1 O15118 6/20 0.77
RAB9A P51151 4/20 0.77
MAPK1 P28482 4/20 0.77
NPSR1 Q6W5P4 2/20 0.77
MYOC Q99972 1/20 0.77
SMN1; SMN2 Q16637 4/20 0.71
LMNA P02545 3/20 0.68
POLB P06746 2/20 0.66
PABPC1 P11940 1/20 0.66
ALOX5 P09917 1/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
HTT P42858 1/20 0.64
HSP90AA1 P07900 1/20 0.63
PKM P14618 1/20 0.63

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
SCHEMBL11004478 0.87 MEN1 (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2633343 0.86 ALOX5 (0.77) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2061754 0.86 ALOX5 (0.77) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1177730 0.86 MEN1 (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6302157 0.86 MEN1 (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4118579 0.86 KMT2A (0.72) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL28867810 0.85 MEN1 (0.71) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17287914 0.85 CXCR1 (0.70) MEN1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL9423776 0.85 ALOX5 (0.75) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11837226 0.85 MEN1 (0.78) MEN1KMT2AMAPTNPC1RAB9A

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.