SCHEMBL1833241

SCHEMBL1833241

Cc1nc(Cn2nc(C(F)(F)F)nc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.35
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SIRT6 Q8N6T7 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1831333 0.86 GAA (0.30) DCTPP1GAA
SCHEMBL1835427 0.82 KMT2A (0.36) DCTPP1GAAMEN1HTTKMT2A
SCHEMBL1831264 0.80 DCTPP1 (0.36) DCTPP1GAAMEN1HTTKMT2A
SCHEMBL1830970 0.80 TSHR (0.39) DCTPP1GAAMEN1HTTKMT2A
SCHEMBL1829623 0.79 CYP1A2 (0.35) DCTPP1GAAMEN1HTTKMT2A
SCHEMBL1832592 0.79 ALDH1A1 (0.36) DCTPP1GAAMEN1HTTKMT2A
SCHEMBL1834975 0.79 PRMT6 (0.32)
SCHEMBL1830036 0.79 GAA (0.33) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL1187287 0.78 GRIA2 (0.39) GAAKDM4EALDH1A1LMNA
SCHEMBL1834058 0.78 TDP1 (0.41) DCTPP1GAAHTTALDH1A1LMNA

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 DCTPP1 4527/4885GAA 4457/4885MEN1 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.