SCHEMBL1832733

SCHEMBL1832733

Cc1cc(Cc2nc(C(F)(F)C(F)(F)F)nn2C(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TXNRD1 Q16881 1/20 0.31
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL1833479 0.93 POLB (0.34) POLBMAPTNR3C1PGRAR
SCHEMBL1833972 0.82 POLB (0.40) POLBMAPTALDH1A1GAA
SCHEMBL1837228 0.81 SKP2 (0.33)
SCHEMBL1831884 0.81 POLB (0.33) POLBMAPTNR3C1PGRAR
SCHEMBL1832155 0.79 MAPT (0.35) POLBMAPTNR3C1PGRAR
SCHEMBL2161760 0.78 MAPT (0.34) POLBMAPTNR3C1PGRAR
SCHEMBL1832395 0.77 MAPT (0.33) POLBMAPTNR3C1PGRAR
SCHEMBL1832766 0.77 GAA (0.35) POLBMAPTNR3C1PGRAR
SCHEMBL1833369 0.76 HPGD (0.34) MAPTNR3C1PGRARHPGD
SCHEMBL2161294 0.76 ALDH1A1 (0.35) MAPTNR3C1PGRARHPGD

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 4 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
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 POLB 4574/4885MAPT 4079/4885NR3C1 4682/4885

“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.