SCHEMBL535430

SCHEMBL535430

CSC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)/C=N/OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.36
POLB P06746 2/20 0.35
HDAC8 Q9BY41 2/20 0.32
CCR6 P51684 1/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
BACE1 P56817 2/20 0.30
GSK3B P49841 1/20 0.30
GCK P35557 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 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
SCHEMBL535431 1.00 AAK1 (0.36) AAK1POLBHDAC8CCR6USP2
SCHEMBL534624 0.93 KDM4E (0.31) AAK1POLBKDM4EALDH1A1MEN1
SCHEMBL534625 0.93 KDM4E (0.31) AAK1POLBKDM4EALDH1A1MEN1
SCHEMBL534746 0.90
SCHEMBL534747 0.90
SCHEMBL535169 0.89 AAK1 (0.32) AAK1
SCHEMBL535168 0.89 AAK1 (0.32) AAK1
SCHEMBL534757 0.88 AAK1 (0.34) AAK1
SCHEMBL534756 0.88 AAK1 (0.34) AAK1
SCHEMBL535522 0.88 SCN9A (0.35) AAK1POLBHDAC8USP2LMNA

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 AAK1 3156/4885POLB 4441/4885HDAC8 1107/4885

“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.