SCHEMBL534692

SCHEMBL534692

COC(=N)C(C)(C)NC(=O)C(Oc1ccc2ncc(I)cc2c1)SC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
HPGDS O60760 2/20 0.33
ALPL P05186 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MET P08581 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
SCHEMBL14763268 0.89 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL1926439 0.88 HPGDS (0.38) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL534845 0.84 MAPT (0.36) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL534690 0.82 ALDH1A1 (0.34) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL534691 0.82 ALDH1A1 (0.34) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL534790 0.82 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL534791 0.82 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL534780 0.80 MET (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL534779 0.80 MET (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL535370 0.80 ALDH1A1 (0.43) ALDH1A1HPGDF2GLAHPGDS

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 3 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

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 109/4885HPGD 2661/4885F2 3671/4885

“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.