SCHEMBL1833080

SCHEMBL1833080

Cc1cc(Cn2nc(C(F)(F)F)nc2C(F)(F)C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BLM P54132 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL1833287 0.94 HPGD (0.34) HPGDHTTLMNAMAPTGAA
SCHEMBL1831264 0.92 DCTPP1 (0.36) HPGDHTTLMNAMAPTGAA
SCHEMBL1835471 0.92 HPGD (0.33) HPGDHTTLMNAMAPTGAA
SCHEMBL1832963 0.92 HPGD (0.35) HPGDHTTLMNAMAPTDCTPP1
SCHEMBL1836419 0.91 DCTPP1 (0.35) HPGDHTTLMNAMAPTGAA
SCHEMBL1831923 0.89 HPGD (0.33) HPGDHTTLMNAMAPTNR3C1
SCHEMBL1832339 0.89 HPGD (0.36) HPGDHTTLMNAMAPTGAA
SCHEMBL2161256 0.89 HPGD (0.34) HPGDHTTLMNAMAPTDCTPP1
SCHEMBL2161502 0.88 HPGD (0.33) HPGDHTTLMNAMAPTNR3C1
SCHEMBL12402756 0.87 HTT (0.33) HPGDHTTLMNAMAPTGAA

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 5 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
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 HPGD 2921/4885HTT 3414/4885LMNA 1928/4885

“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.