SCHEMBL534779

SCHEMBL534779

CO/N=C/CC(C)(C)NC(=O)C(Oc1ccc2ncc(I)cc2c1)SC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDR P35968 2/20 0.31
AURKA O14965 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
YES1 P07947 1/20 0.31
FGFR2 P21802 1/20 0.31
EPHA2 P29317 1/20 0.31
LTK P29376 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL534780 1.00 MET (0.33) METALDH1A1HPGDF2GLA
SCHEMBL534754 0.87 MET (0.32) METALDH1A1HPGDF2GLA
SCHEMBL534755 0.87 MET (0.32) METALDH1A1HPGDF2GLA
SCHEMBL534690 0.86 ALDH1A1 (0.34) METALDH1A1HPGDF2GLA
SCHEMBL534691 0.86 ALDH1A1 (0.34) METALDH1A1HPGDF2GLA
SCHEMBL535091 0.84 MET (0.32) METALDH1A1HPGDF2GLA
SCHEMBL535092 0.84 MET (0.32) METALDH1A1HPGDF2GLA
SCHEMBL534590 0.83 MET (0.35) METALDH1A1HPGDF2GLA
SCHEMBL534591 0.83 MET (0.35) METALDH1A1HPGDF2GLA
SCHEMBL1926439 0.83 HPGDS (0.38) METALDH1A1HPGDF2GLA

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 MET 780/4885ALDH1A1 109/4885HPGD 2661/4885

“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.