SCHEMBL1835292

SCHEMBL1835292

O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
PKM P14618 2/20 0.55
TYR P14679 1/20 0.48
SCN2A Q99250 2/20 0.48
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL31455781 1.00 MEN1 (0.55) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL20971731 0.79 MEN1 (0.57) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL1832812 0.77 CA12 (0.60) SCN2AMAPTLMNACA12CA1
SCHEMBL12872248 0.76 PKM (0.45) MEN1KMT2AALDH1A1PKMPOLB
SCHEMBL8276110 0.76 ALDH1A1 (0.61) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL8222291 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL1834551 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL3578423 0.73 RAB9A (0.52) MEN1KMT2AALDH1A1PKMTYR
SCHEMBL6841652 0.73 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SCN2ACA12
SCHEMBL12185228 0.72 KMT2A (0.56) MEN1KMT2AALDH1A1PKMMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 MEN1 4180/4885KMT2A 657/4885ALDH1A1 928/4885

“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.