SCHEMBL1832155

SCHEMBL1832155

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
CYP19A1 P11511 2/20 0.34
SIRT6 Q8N6T7 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.86 POLB (0.34) MAPTGAATSHRHPGDALDH1A1
SCHEMBL2161760 0.86 MAPT (0.34) MAPTGAATSHRHPGDALDH1A1
SCHEMBL1832395 0.85 MAPT (0.33) MAPTGAATSHRHPGDALDH1A1
SCHEMBL1832733 0.79 POLB (0.33) MAPTGAATSHRHPGDALDH1A1
SCHEMBL1831152 0.79 GAA (0.40) MAPTGAATSHRHPGDALDH1A1
SCHEMBL1833115 0.79 HPGD (0.34) MAPTGAATSHRHPGDALDH1A1
SCHEMBL12402627 0.78 GAA (0.34) MAPTGAAALDH1A1NPC1
SCHEMBL1832407 0.77 FGFR4 (0.42) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL1831264 0.77 DCTPP1 (0.36) MAPTGAATSHRHPGDALDH1A1
SCHEMBL2884329 0.74 ALDH1A1 (0.48) MAPTGAATSHRHPGDALDH1A1

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 MAPT 4079/4885GAA 4457/4885TSHR 2047/4885

“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.