SCHEMBL534540

SCHEMBL534540

CCC(Oc1ccc2ncc(I)cc2c1)C(=O)NC(C)(C)/C=N/O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 5/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MET P08581 4/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL534541 1.00 HSD17B10 (0.36) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL534844 0.91 MAPT (0.36) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL534678 0.91 MAPT (0.36) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL534677 0.91 MAPT (0.36) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL534843 0.91 MAPT (0.36) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL534619 0.89 HSD17B10 (0.36) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL534620 0.89 HSD17B10 (0.36) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL535288 0.87 MAPT (0.35) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL535287 0.87 MAPT (0.35) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL535164 0.87 MAPT (0.35) HSD17B10ALDH1A1MAPTTP53SMN1; SMN2

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 HSD17B10 200/4885ALDH1A1 109/4885MAPT 921/4885

“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.