SCHEMBL535522

SCHEMBL535522

CSC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C)C=NOCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
LMNA P02545 2/20 0.33
MET P08581 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BACE1 P56817 1/20 0.33
NMT1 P30419 3/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL535521 1.00 SCN9A (0.35) SCN9AMEN1KMT2AHSP90AA1HDAC8
SCHEMBL534742 0.93 MET (0.37) MEN1KMT2AMETPPARGPPARA
SCHEMBL534743 0.93 MET (0.37) MEN1KMT2AMETPPARGPPARA
SCHEMBL534819 0.90 MET (0.35) MEN1KMT2ALMNAMETPPARG
SCHEMBL534820 0.90 MET (0.35) MEN1KMT2ALMNAMETPPARG
SCHEMBL534854 0.89 MET (0.33) SCN9AKMT2AMETKDM4EALDH1A1
SCHEMBL534855 0.89 MET (0.33) SCN9AKMT2AMETKDM4EALDH1A1
SCHEMBL535322 0.88 MET (0.36) METPPARGPPARAALDH1A1AAK1
SCHEMBL535447 0.88 ALDH1A1 (0.34) KMT2ALMNAMETPOLBKDM4E
SCHEMBL535446 0.88 ALDH1A1 (0.34) KMT2ALMNAMETPOLBKDM4E

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 SCN9A 2376/4885MEN1 1392/4885KMT2A 1842/4885

“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.