SCHEMBL1825474

SCHEMBL1825474

O=C1OC(=O)c2c1ccc([N+](=O)[O-])c2Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.46
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
S100A4 P26447 2/20 0.41
MAPT P10636 4/20 0.38
POLB P06746 3/20 0.38
APEX1 P27695 1/20 0.38
CASP6 P55212 1/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
PTPRC P08575 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MCL1 Q07820 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL6556695 0.79 ALDH1A1 (0.46) TDP1ALDH1A1BCHEACHECES1
SCHEMBL5574356 0.79 S100A4 (0.53) TDP1ALDH1A1ACHES100A4MAPT
SCHEMBL8653951 0.77 S100A4 (0.52) TDP1ALDH1A1BCHEACHECES1
SCHEMBL77252 0.77 S100A4 (0.63) TDP1ALDH1A1ACHES100A4MAPT
SCHEMBL29424353 0.77 S100A4 (0.63) TDP1ALDH1A1ACHES100A4MAPT
SCHEMBL16863047 0.75 TDP1 (0.50) TDP1ALDH1A1S100A4MAPTPOLB
SCHEMBL11303101 0.75 S100A4 (0.56) TDP1ALDH1A1BCHEACHECES1
SCHEMBL4150369 0.74 BCHE (0.68) TDP1ALDH1A1BCHEACHECES1
SCHEMBL29462450 0.74 TYMS (0.50) TDP1ALDH1A1CES1MAPTPOLB
SCHEMBL855450 0.74 TYMS (0.50) TDP1ALDH1A1CES1MAPTPOLB

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 TDP1 4411/4885ALDH1A1 928/4885BCHE 4/4885

“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.