SCHEMBL533275

SCHEMBL533275

Oc1cc(Br)c2ncc(Br)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NOD2 Q9HC29 1/20 0.42
KMT2A Q03164 2/20 0.38
DYRK1A Q13627 2/20 0.34
NQO2 P16083 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DYRK1B Q9Y463 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 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
SCHEMBL2319227 0.81 LMNA (0.33) PRNPHTTNPSR1LMNAHPGD
SCHEMBL534655 0.81 HTT (0.40) PRNPHTTNPSR1LMNAHPGD
SCHEMBL1926191 0.81 DYRK1A (0.33) PRNPHTTNPSR1LMNAHPGD
SCHEMBL1927586 0.81 ESR1 (0.33) PRNPHTTNPSR1LMNAHPGD
SCHEMBL534734 0.81 PLAU (0.39) PRNPHTTNPSR1LMNAHPGD
SCHEMBL31328548 0.81 CA12 (0.38) PRNPHTTNPSR1LMNAHPGD
SCHEMBL3100730 0.77 ESR1 (0.33) PRNPHTTNPSR1LMNAHPGD
SCHEMBL23796337 0.77 PSMD14 (0.45) LMNAKMT2AALDH1A1MEN1TSHR
SCHEMBL1359031 0.76 KMT2A (0.47) PRNPHTTNPSR1LMNAHPGD
SCHEMBL19776263 0.74 CA12 (0.34) PRNPHTTNPSR1LMNAHPGD

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 26 patents — showing the first 20. 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
US-8440595-B2 Fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-05-14 US disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-8067592-B2 N-alkyny-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2011-11-29 US disclosed
EP-2185519-B1 NOVEL FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-10 EP disclosed
US-7956188-B2 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US 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
US-20100286199-A1 NOVEL FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-11 US disclosed
EP-1638928-B1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LTD (GB) 2010-09-29 EP 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
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
US-20070072884-A1 QUINOLIN-ISOQUINOLIN-AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-03-29 US disclosed
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2007-02-22 US disclosed
US-7122672-B2 Quinolin-, isoquinolin-, and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-10-17 US disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO disclosed
EP-1638928-A1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES Syngenta Limited (GB) 2006-03-29 EP disclosed
US-20060019973-A1 Quinolin-,isoquinolin-,and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-01-26 US disclosed
EP-1567010-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 WO disclosed
WO-2004047538-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 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 (5 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 PRNP 2225/4885HTT 979/4885NPSR1 1765/4885
US-20070072884-A1 QUINOLIN-ISOQUINOLIN-AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES CBR3, CBR1, POR PRNP 3802/4885HTT 3157/4885NPSR1 152/4885
US-20060019973-A1 Quinolin-,isoquinolin-,and quinazolin-oxyalkylamides and their use as fungicides CYP4X1, CYP51A1, CYP1A2 PRNP 1895/4885HTT 2657/4885NPSR1 1879/4885
US-20100286199-A1 NOVEL FUNGICIDES CYP51A1, CYP4X1, CYP1B1 PRNP 2549/4885HTT 3376/4885NPSR1 3258/4885
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 PRNP 2382/4885HTT 1200/4885NPSR1 1865/4885

“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.