SCHEMBL1832802

SCHEMBL1832802

Cc1nc(Cn2cc(C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
AR P10275 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SOS1 Q07889 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
SCHEMBL1832574 0.81 TSHR (0.36) LMNACYP3A4TSHRARL3MBTL1
SCHEMBL1831943 0.79 SMN1; SMN2 (0.31)
SCHEMBL2161460 0.78 TDP1 (0.40) LMNAALDH1A1TSHR
SCHEMBL1836181 0.77 GAA (0.32) LMNAALDH1A1GAA
SCHEMBL12402779 0.76 LMNA (0.31) LMNA
SCHEMBL1831333 0.76 GAA (0.30) GAA
SCHEMBL2889819 0.75 KLKB1 (0.36) GAATSHR
SCHEMBL2884044 0.75 HPGD (0.36) LMNAGAAARL3MBTL1
SCHEMBL1836105 0.74 TGM2 (0.47) LMNAALDH1A1
SCHEMBL12402767 0.72 LMNA (0.31) LMNAALDH1A1SOS1

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 LMNA 1928/4885ALDH1A1 928/4885GAA 4457/4885

“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.