SCHEMBL1828860

SCHEMBL1828860

Cc1nc(CBr)c([N+](=O)[O-])cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 4/20 0.34
S1PR4 O95977 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MAPK1 P28482 2/20 0.33
ESPL1 Q14674 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
GPR35 Q9HC97 1/20 0.33
VCAM1 P19320 1/20 0.33
GALR2 O43603 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27837874 0.88 TDP1 (0.34) ATMTDP1ALDH1A1HIF1ACYP1A2
SCHEMBL1828159 0.87 TDP1 (0.36) ATMTDP1ALDH1A1HIF1ACYP1A2
SCHEMBL1828307 0.79 TDP1 (0.42) ATMTDP1ALDH1A1HIF1ACYP1A2
SCHEMBL27837881 0.78 ATM (0.34) ATMTDP1ALDH1A1HIF1ACYP1A2
SCHEMBL12402574 0.71 CYP1A2 (0.40) ALDH1A1CYP1A2MEN1KMT2ACYP3A4
SCHEMBL1829835 0.70 ALDH1A1 (0.44) ATMTDP1ALDH1A1HIF1ACYP1A2
SCHEMBL1827834 0.70 MEN1 (0.41) ATMTDP1ALDH1A1HIF1ACYP1A2
SCHEMBL1869106 0.67 ATM (0.46) ATMTDP1ALDH1A1HIF1ACYP1A2
SCHEMBL21129793 0.67 MEN1 (0.44) ATMTDP1ALDH1A1HIF1ACYP1A2
SCHEMBL30257990 0.65 TDP1 (0.56) ATMTDP1ALDH1A1HIF1ACYP1A2

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
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
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 ATM 3577/4885TDP1 4411/4885ALDH1A1 928/4885

“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.