SCHEMBL534618

SCHEMBL534618

Cc1cc(O)cc2cc(I)cnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
KDM4E B2RXH2 1/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK10 P53779 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HTT P42858 1/20 0.31
TET2 Q6N021 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
SCHEMBL2319709 0.81 TET2 (0.32) TET2
SCHEMBL3103568 0.78 CYP3A4 (0.43) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL2316611 0.78 HSD17B10 (0.37) CYP3A4ALOX15KDM4EMEN1ALDH1A1
SCHEMBL534655 0.78 HTT (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL2319227 0.78 LMNA (0.33) HTTTET2ESR1ESR2
SCHEMBL23763290 0.73 CCR1 (0.38) KDM4ECCR1CCR5CCR8
SCHEMBL13486493 0.72 KDM4E (0.44) ALOX15KDM4ECCR1CCR5CCR8
SCHEMBL1927717 0.70 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL5544307 0.68 CCR1 (0.55) CYP3A4CHRM1ALOX15ADRA1AKDM4E
SCHEMBL282435 0.67 CYP3A4 (0.52) CYP3A4CHRM1ALOX15MAOATBXA2R

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 20 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
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
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
CN-101115748-B Acetamide compounds as fungicides SYNGENTA PARTICIPATIONS AG 2011-06-08 CN 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-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 US disclosed
CN-101827817-A Saturated and undersaturated two-or three cyclophane oxygen yl acetamide derivatives and they as the purposes of mycocide SYNGENTA PARTICIPATIONS AGSYNGENTA PARTICIPATIONS AG 2010-09-08 CN disclosed
CN-101796030-A Fungicidal 2-Alkylthio-2-quinolinyloxy-acetamide derivatives SYNGENTA PARTICIPATIONS AG 2010-08-04 CN disclosed
EP-2185520-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES Sygenta Participations AG. (CH) 2010-05-19 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-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP 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
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 (3 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-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 CYP3A4 409/4885CHRM1 2795/4885ALOX15 2796/4885
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 CYP3A4 27/4885CHRM1 247/4885ALOX15 665/4885
US-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES CYP1A2, AADAC, CYP51A1 CYP3A4 35/4885CHRM1 1161/4885ALOX15 2257/4885

“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.