SCHEMBL1833858

SCHEMBL1833858

O=[N+]([O-])c1ccc(Cc2n[nH]c(C(F)(F)C(F)(F)F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1827964 0.74 MAPT (0.37) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL2161509 0.74 POLB (0.43) POLBMEN1KMT2AGAAPKM
SCHEMBL2161240 0.71 MAPT (0.45) POLBMEN1KMT2AGAANPC1
SCHEMBL1835420 0.70 POLB (0.40) POLBMEN1KMT2AGAAPKM
SCHEMBL1847507 0.68 POLB (0.43) POLBMEN1KMT2AGAAPKM
SCHEMBL4447163 0.68 POLB (0.53) POLBMEN1KMT2AGAAPKM
SCHEMBL15543534 0.67 XDH (0.55) POLBMEN1KMT2AGAAPKM
SCHEMBL8094050 0.67 POLB (0.76) POLBMEN1KMT2ASMN1; SMN2IDO1
SCHEMBL44366 0.67 POLB (0.76) POLBMEN1KMT2ASMN1; SMN2IDO1
SCHEMBL8087428 0.67 POLB (0.76) POLBMEN1KMT2ASMN1; SMN2IDO1

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 3 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

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 POLB 4574/4885ABCC8 86/4885KCNJ11 595/4885

“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.