SCHEMBL1836181

SCHEMBL1836181

Cc1nc(Cn2nc(C(F)(F)C(F)(F)F)cc2C(F)(F)C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1187287 0.86 GRIA2 (0.39) GAAALDH1A1MAPTLMNA
SCHEMBL1833416 0.80
SCHEMBL1831333 0.79 GAA (0.30) GAA
SCHEMBL1833353 0.78 TDP1 (0.39) GAAALDH1A1MAPTLMNACYP1A2
SCHEMBL1832802 0.77 LMNA (0.32) GAAALDH1A1LMNA
SCHEMBL1833430 0.74 L3MBTL1 (0.34) ALDH1A1
SCHEMBL1836556 0.74 GRIA2 (0.34)
SCHEMBL1833241 0.74 DCTPP1 (0.35) GAAALDH1A1LMNA
SCHEMBL1835427 0.73 KMT2A (0.36) GAAALDH1A1LMNACYP1A2CYP2C19
SCHEMBL12402779 0.72 LMNA (0.31) LMNA

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
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 GAA 4457/4885ALDH1A1 928/4885MAPT 4079/4885

“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.