SCHEMBL4112043

SCHEMBL4112043

CC(C)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.74
KMT2A Q03164 8/20 0.74
MAPT P10636 4/20 0.73
NPSR1 Q6W5P4 2/20 0.73
MYOC Q99972 2/20 0.73
NPC1 O15118 4/20 0.65
MAPK1 P28482 2/20 0.65
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RAB9A P51151 4/20 0.62
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
PTGES O14684 1/20 0.56
POLB P06746 2/20 0.55
PABPC1 P11940 1/20 0.55
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL6302157 0.86 MEN1 (1.00) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL1177730 0.86 MEN1 (1.00) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL19707622 0.84 RAB9A (0.76) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL3884016 0.83 KMT2A (0.55) MEN1KMT2AMAPTNPSR1MYOC
Hydrogen Peroxide SCHEMBL28470548 0.82 ALDH1A1 (0.55) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL254528 0.82 ALDH1A1 (0.56) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL4115432 0.81 MEN1 (0.82) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL18825691 0.81 MEN1 (0.82) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL1311708 0.81 MEN1 (0.82) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL6302417 0.81 MEN1 (0.89) MEN1KMT2AMAPTNPSR1MYOC

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.