SCHEMBL1832874

SCHEMBL1832874

O=[N+]([O-])c1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
XDH P47989 2/20 0.49
AOC3 Q16853 2/20 0.44
MAPT P10636 5/20 0.44
GYS1 P13807 1/20 0.43
NOTUM Q6P988 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
RAD51 Q06609 1/20 0.41
PAX8 Q06710 1/20 0.41
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL18011148 0.84 POLB (0.43) ABCC8KCNJ11XDHMAPTGYS1
SCHEMBL9573580 0.83 MAPT (0.51) MAPTMEN1KMT2ALMNANPC1
SCHEMBL1831038 0.79 MAPT (0.48) XDHAOC3MAPTMEN1KMT2A
SCHEMBL3954857 0.78 XDH (0.54) XDHMAPTNOTUMMEN1KMT2A
SCHEMBL17207531 0.77 AOC3 (0.50) XDHAOC3NOTUMLMNANPC1
SCHEMBL8652376 0.76 XDH (0.53) ABCC8KCNJ11XDHMAPTNOTUM
SCHEMBL12686395 0.76 XDH (0.53) ABCC8KCNJ11XDHMAPTNOTUM
SCHEMBL31327475 0.76 AOC3 (0.52) XDHAOC3MAPTGYS1MEN1
SCHEMBL15299217 0.76 AOC3 (0.52) XDHAOC3MEN1KMT2AALDH1A1
SCHEMBL21339906 0.76 AOC3 (0.52) XDHAOC3MAPTMEN1KMT2A

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 ABCC8 86/4885KCNJ11 595/4885XDH 2011/4885

“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.