SCHEMBL13697644

SCHEMBL13697644

Nc1c(C(=O)O)cc2nc(C(F)(F)F)ccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
EPRS1 P07814 2/20 0.35
SYK P43405 2/20 0.35
PDE4B Q07343 2/20 0.34
TBK1 Q9UHD2 1/20 0.33
GLA P06280 1/20 0.33
DHODH Q02127 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL535644 0.84 GABRP (0.39) KDM4EALDH1A1HPGDHSD17B10TAS2R14
SCHEMBL13697639 0.84 NT5E (0.38) NT5EKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2936513 0.81 PDE4B (0.41) NT5EKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2929289 0.76 PDE4B (0.34) NT5ESYKPDE4BDHODH
SCHEMBL2933943 0.74 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10TAS2R14
SCHEMBL16833392 0.73 NT5E (0.54) NT5EKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28226031 0.72 TAS2R14 (0.51) KDM4EALDH1A1HPGDTAS2R14PDE4B
SCHEMBL535729 0.70 IGF1R (0.39) ALDH1A1TAS2R14SYKPDE4BDHODH
SCHEMBL167782 0.70 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10TAS2R14
SCHEMBL26732611 0.70 TAS2R14 (0.44) KDM4EALDH1A1HPGDHSD17B10TAS2R14

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
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-20090221587-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US 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 NT5E 3943/4885KDM4E 3002/4885ALDH1A1 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.