SCHEMBL534571

SCHEMBL534571

CSC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C#N)C=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MET P08581 1/20 0.31
ALPL P05186 1/20 0.30

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
SCHEMBL534444 0.89 ALDH1A1 (0.32) ALDH1A1F2GLAHPGDMET
SCHEMBL534656 0.88 ALDH1A1 (0.35) ALDH1A1F2GLAHPGDMET
SCHEMBL633389 0.85 HPGDS (0.38) ALDH1A1F2GLAHPGDMET
SCHEMBL533577 0.85 SCN9A (0.34) ALDH1A1F2GLAHPGDMET
SCHEMBL29814974 0.83 ALDH1A1 (0.34) ALDH1A1F2GLAHPGDMET
SCHEMBL156805 0.83 ALDH1A1 (0.34) ALDH1A1F2GLAHPGDMET
SCHEMBL534860 0.82 SCN9A (0.37) ALDH1A1F2GLAHPGDMET
SCHEMBL535328 0.81 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDMET
SCHEMBL535329 0.81 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDMET
SCHEMBL534632 0.81 MET (0.33) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 ALDH1A1 109/4885F2 3671/4885GLA 1819/4885

“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.