SCHEMBL1831884

SCHEMBL1831884

Cc1cc(Cc2nc(C(F)(F)C(F)(F)F)n(C(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 2/20 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
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TXNRD1 Q16881 1/20 0.31
CYP3A4 P08684 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL1832766 0.92 GAA (0.35) POLBGAAMAPTNR3C1PGR
SCHEMBL1835420 0.82 POLB (0.40) POLBGAAMAPTTSHRNPC1
SCHEMBL1831014 0.81 SKP2 (0.33)
SCHEMBL1832733 0.81 POLB (0.33) POLBGAAMAPTNR3C1PGR
SCHEMBL1831152 0.79 GAA (0.40) POLBGAAMAPTNR3C1PGR
SCHEMBL1828519 0.78 MAPT (0.38) POLBMAPTNR3C1PGRAR
SCHEMBL1836269 0.78 GAA (0.36) POLBGAAMAPTNR3C1PGR
SCHEMBL1833479 0.78 POLB (0.34) POLBGAAMAPTNR3C1PGR
SCHEMBL1832287 0.77 GAA (0.35) POLBGAAMAPTNR3C1PGR
SCHEMBL1829024 0.75 MAPT (0.35) POLBGAAMAPTNR3C1PGR

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 4574/4885GAA 4457/4885MAPT 4079/4885

“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.