SCHEMBL1828307

SCHEMBL1828307

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
GPR35 Q9HC97 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
VCAM1 P19320 1/20 0.39
GALR2 O43603 1/20 0.39
ESPL1 Q14674 1/20 0.39
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 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
SCHEMBL27831883 0.85 TSHR (0.47) TDP1ALDH1A1TSHRCYP3A4GPR35
SCHEMBL8801989 0.79 CYP1A2 (0.47) TDP1ALDH1A1TSHRCYP3A4GPR35
SCHEMBL1828860 0.79 ATM (0.36) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL1828159 0.79 TDP1 (0.36) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL29716386 0.78 CYP1A2 (0.43) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL22009632 0.78 CYP1A2 (0.43) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL27837874 0.77 TDP1 (0.34) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL27837881 0.77 ATM (0.34) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL15580573 0.76 TSHR (0.39) TDP1ALDH1A1TSHRCYP3A4GPR35
SCHEMBL38665481 0.76 CYP1A2 (0.44) TDP1ALDH1A1TSHRCYP3A4GPR35

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
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN 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 4411/4885ATM 3577/4885ALDH1A1 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.