SCHEMBL1361039

SCHEMBL1361039

Nc1cc(Cl)c2ncc(Br)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.39
PLAU P00749 1/20 0.39
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 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
SCHEMBL1359031 0.81 KMT2A (0.47) DYRK1AKMT2AHTTPLAUALDH1A1
SCHEMBL31378698 0.79 PLAU (0.36) DYRK1AKMT2AHTTPLAUHPGD
SCHEMBL1927191 0.78 DYRK1A (0.40) DYRK1AKMT2AHTTALDH1A1MAPT
SCHEMBL1928507 0.78 DYRK1A (0.40) DYRK1AKMT2AHTTALDH1A1MAPT
SCHEMBL31378854 0.78 DYRK1A (0.40) DYRK1AKMT2AHTTALDH1A1MAPT
SCHEMBL534734 0.78 PLAU (0.39) DYRK1AKMT2AHTTPLAUALDH1A1
SCHEMBL22234251 0.73 BACE1 (0.39) DYRK1AKMT2AHTTPLAUALDH1A1
SCHEMBL5558125 0.72 NR4A2 (0.38) PLAUALDH1A1MAPTKDM4ELMNA
SCHEMBL31378898 0.72 MAP4K4 (0.33) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL1927481 0.70 PLAU (0.35) DYRK1AKMT2AHTTPLAU

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067592-B2 N-alkyny-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2011-11-29 US 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
EP-1638928-B1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LTD (GB) 2010-09-29 EP disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
CN-100540534-C N-alkynyl-2-(aryloxy of replacement) alkylthioamide derivatives as mycocide SYNGENTA LTD (GB) 2009-09-16 CN 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
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2007-02-22 US disclosed
CN-1812966-A N-alkynyl-2- (substituted aryloxy) alkylthioamide derivatives as fungicides SYNGENTA LTD (GB) 2006-08-02 CN 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
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 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-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 DYRK1A 2692/4885KMT2A 66/4885HTT 4197/4885
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 DYRK1A 3076/4885KMT2A 227/4885HTT 1200/4885

“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.