SCHEMBL1834046

SCHEMBL1834046

Cc1cc(Cn2nc(C(F)(F)F)nc2C(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
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 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
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX3 P56373 1/20 0.33
BLM P54132 1/20 0.32
L3MBTL1 Q9Y468 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) HPGDHTTMEN1KMT2ALMNA
SCHEMBL12402756 0.85 HTT (0.33) HPGDHTTMEN1KMT2ALMNA
SCHEMBL1831823 0.83 LMNA (0.41) HPGDHTTMEN1KMT2ALMNA
SCHEMBL1832339 0.83 HPGD (0.36) HPGDHTTKMT2ALMNAMAPT
SCHEMBL1833115 0.83 HPGD (0.34) HPGDHTTMEN1KMT2ALMNA
SCHEMBL1833080 0.83 HPGD (0.34) HPGDHTTMEN1KMT2ALMNA
SCHEMBL1833369 0.82 HPGD (0.34) HPGDHTTMEN1KMT2ALMNA
SCHEMBL1834390 0.81 HPGD (0.37) HPGDHTTMEN1KMT2ALMNA
SCHEMBL12402750 0.81 DCTPP1 (0.34) HPGDHTTMEN1KMT2ALMNA
SCHEMBL1835192 0.81 ADORA3 (0.36) MEN1KMT2AMAPTARNPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN 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
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 3414/4885MEN1 4180/4885

“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.