SCHEMBL1833115

SCHEMBL1833115

Cc1cc(Cn2nc(C(F)(F)F)nc2CC(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
TSHR P16473 2/20 0.33
BLM P54132 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 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
SCHEMBL1831264 0.85 DCTPP1 (0.36) HPGDHTTLMNAPTGDR2MAPT
SCHEMBL1832395 0.83 MAPT (0.33) HPGDHTTLMNAMAPTGAA
SCHEMBL1832339 0.83 HPGD (0.36) HPGDHTTLMNAMAPTGAA
SCHEMBL1833080 0.83 HPGD (0.34) HPGDHTTLMNAPTGDR2MAPT
SCHEMBL1834046 0.83 HPGD (0.34) HPGDHTTLMNAMAPTGAA
SCHEMBL2161760 0.81 MAPT (0.34) HPGDHTTLMNAMAPTGAA
SCHEMBL1831823 0.81 LMNA (0.41) HPGDHTTLMNAMAPTGAA
SCHEMBL1834390 0.81 HPGD (0.37) HPGDHTTLMNAMAPTGAA
SCHEMBL12402756 0.81 HTT (0.33) HPGDHTTLMNAPTGDR2MAPT
SCHEMBL2161392 0.81 ADORA3 (0.36) PTGDR2RAB9AMEN1KMT2A

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
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 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.