SCHEMBL534655

SCHEMBL534655

Cc1cc(O)cc2cc(Br)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
PRNP P04156 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NOD2 Q9HC29 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
ALOX15 P16050 1/20 0.34
MAOA P21397 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
NQO2 P16083 2/20 0.33
DYRK1A Q13627 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 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
SCHEMBL533275 0.81 PRNP (0.42) HTTNPSR1PRNPLMNAHPGD
SCHEMBL31716007 0.81 CCR1 (0.42) HTTNPSR1PRNPLMNAHPGD
SCHEMBL534734 0.78 PLAU (0.39) HTTNPSR1PRNPLMNAHPGD
SCHEMBL3103568 0.78 CYP3A4 (0.43) HTTCYP3A4CHRM1ALOX15MAOA
SCHEMBL1927191 0.78 DYRK1A (0.40) HTTNPSR1PRNPLMNAHPGD
SCHEMBL1927586 0.78 ESR1 (0.33) HTTNPSR1PRNPLMNAHPGD
SCHEMBL534618 0.78 CYP3A4 (0.34) HTTCYP3A4CHRM1ALOX15MAOA
SCHEMBL1926191 0.78 DYRK1A (0.33) HTTNPSR1PRNPLMNAHPGD
SCHEMBL3100730 0.77 ESR1 (0.33) HTTNPSR1PRNPLMNAHPGD
SCHEMBL21403775 0.76 HTT (0.41) HTTNPSR1PRNPLMNAHPGD

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440595-B2 Fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-05-14 US disclosed
CN-101827817-B Saturated and insaturated bi- or tricyclic aryloxyacetamide derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC 2013-05-08 CN disclosed
US-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-04-18 US disclosed
US-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-04-18 US disclosed
EP-2185520-B1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-12-26 EP disclosed
CN-101796030-B Fungicidal 2-Alkylthio-2-quinolinyloxy-acetamide derivatives SYNGENTA PARTICIPATIONS AG 2012-08-22 CN disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
EP-2397467-A1 Quinoline derivatives as fungicides Syngenta Participations AG (CH) 2011-12-21 EP disclosed
WO-2011154240-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-15 WO disclosed
EP-2185519-B1 NOVEL FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-10 EP disclosed
EP-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
WO-2009049716-A2 NOVEL FUNGICIDES SYGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO disclosed
WO-2009030469-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERITVATIVES SYGENTA PARTICIPATIONS AG, (CH) 2009-03-12 WO 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
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
US-20080171767-A1 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) 2008-07-17 US disclosed
CN-101115748-A Acetamide compounds as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2008-01-30 CN disclosed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 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 (2 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-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 HTT 3579/4885NPSR1 2913/4885PRNP 3449/4885
US-20080171767-A1 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 NAT1, DPM1, AADAC HTT 4197/4885NPSR1 3683/4885PRNP 3249/4885

“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.