SCHEMBL2935943

SCHEMBL2935943

COc1c([N+](=O)[O-])c(C(=O)O)cc2nc(C(F)(F)F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
PDE4B Q07343 7/20 0.39
ALDH1A1 P00352 2/20 0.38
IGF1R P08069 3/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TPMT P51580 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CDK2 P24941 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NT5E P21589 1/20 0.34
PDE11A Q9HCR9 1/20 0.34

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
SCHEMBL2938117 0.90 TUBB4A (0.42) PKMPDE4BALDH1A1IGF1RLMNA
SCHEMBL535729 0.84 IGF1R (0.39) PKMPDE4BALDH1A1IGF1RLMNA
SCHEMBL2936513 0.82 PDE4B (0.41) PDE4BALDH1A1IGF1RPDE4APDE4C
SCHEMBL13697803 0.80 PDE4B (0.41) PDE4BALDH1A1IGF1RPDE4APDE4C
SCHEMBL535642 0.80 SDHB (0.37) PKMALDH1A1IGF1RMAPTPDE4A
SCHEMBL535545 0.77 TUBB4A (0.40) PDE4BALDH1A1IGF1RLMNAMAPT
SCHEMBL535887 0.77 TUBB4A (0.40) PDE4BALDH1A1IGF1RLMNAMAPT
SCHEMBL2934757 0.71 LMNA (0.42) ALDH1A1IGF1RLMNAMAPTHTT
SCHEMBL3633692 0.70 KDM4E (0.36) ALDH1A1IGF1RLMNAMAPTHTT
SCHEMBL535644 0.70 GABRP (0.39) PDE4BALDH1A1LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 US disclosed
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 US disclosed
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 US disclosed
EP-1919903-B1 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-01-27 EP disclosed
EP-1919903-B1 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-01-27 EP disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
US-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
EP-1919903-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES Syngeta Participations AG (CH) 2008-05-14 EP disclosed
WO-2007020050-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
WO-2007020050-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 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-20090221587-A1 NOVEL INSECTICIDES DDT, CYP4F11, ACHE PKM 1825/4885PDE4B 1031/4885ALDH1A1 142/4885

“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.