SCHEMBL534741

SCHEMBL534741

CSC(Oc1ccc2ncc(Br)cc2c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
F2 P00734 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
PPARA Q07869 4/20 0.38
PPARG P37231 1/20 0.38
NCEH1 Q6PIU2 1/20 0.37
MET P08581 6/20 0.36
LDHA P00338 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
KDR P35968 3/20 0.34
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL534434 0.89 ALDH1A1 (0.43) ALDH1A1F2GLAHPGDPPARA
SCHEMBL14769652 0.85 ALDH1A1 (0.44) ALDH1A1F2GLAHPGDPPARA
SCHEMBL12181867 0.85 ALDH1A1 (0.57) ALDH1A1F2GLAHPGDPPARA
SCHEMBL633389 0.85 HPGDS (0.38) ALDH1A1F2GLAHPGDPPARA
SCHEMBL535370 0.84 ALDH1A1 (0.43) ALDH1A1F2GLAHPGDPPARA
SCHEMBL534721 0.84 HPGD (0.39) ALDH1A1F2GLAHPGDMET
SCHEMBL3615306 0.83 ALDH1A1 (0.44) ALDH1A1F2GLAHPGDPPARA
SCHEMBL3613074 0.82 ALDH1A1 (0.46) ALDH1A1F2GLAHPGDPPARA
SCHEMBL1927849 0.81 HPGDS (0.35) ALDH1A1F2GLAHPGDPPARA
SCHEMBL534656 0.81 ALDH1A1 (0.35) ALDH1A1F2GLAHPGDPPARA

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.