SCHEMBL3138079

SCHEMBL3138079

O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.74
KMT2A Q03164 9/20 0.74
MAPT P10636 6/20 0.74
POLB P06746 2/20 0.74
BLM P54132 1/20 0.74
SMN1; SMN2 Q16637 5/20 0.71
LMNA P02545 4/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
ALDH1A1 P00352 1/20 0.71
NFKB1 P19838 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
KDM4E B2RXH2 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KCNK3 O14649 1/20 0.64
KCNK9 Q9NPC2 1/20 0.64
DDX3X O00571 1/20 0.63
HTT P42858 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63

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
SCHEMBL9329754 0.93 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL8710919 0.90 MEN1 (0.80) MEN1KMT2AMAPTPOLBBLM
SCHEMBL9800017 0.87 GAA (0.77) MEN1KMT2AMAPTPOLBBLM
SCHEMBL11572673 0.87 MEN1 (0.76) MEN1KMT2AMAPTPOLBBLM
SCHEMBL6795867 0.87 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL13698359 0.86 MEN1 (0.91) MEN1KMT2AMAPTPOLBBLM
SCHEMBL18941246 0.86 NPC1 (0.66) MEN1KMT2AMAPTPOLBBLM
SCHEMBL8713931 0.86 KMT2A (0.86) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1336235 0.86 MEN1 (0.74) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1454159 0.86 MEN1 (0.74) MEN1KMT2AMAPTPOLBBLM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466180-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-06-18 US disclosed
US-8466180-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-06-18 US disclosed
US-8466180-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-06-18 US disclosed
US-20100076078-A1 INSECTICIDAL COMPOUNDS SYNGENTA CORP PROTECTION, INC. (US) 2010-03-25 US disclosed
US-20100076078-A1 INSECTICIDAL COMPOUNDS SYNGENTA CORP PROTECTION, INC. (US) 2010-03-25 US disclosed
US-20100076078-A1 INSECTICIDAL COMPOUNDS SYNGENTA CORP PROTECTION, INC. (US) 2010-03-25 US disclosed
CN-101578260-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2009-11-11 CN disclosed
EP-2069287-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-06-17 EP disclosed
WO-2008031534-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-03-20 WO disclosed
WO-2008031534-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-03-20 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-20100076078-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 MEN1 1427/4885KMT2A 2280/4885MAPT 3617/4885

“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.