SCHEMBL1359031

SCHEMBL1359031

Nc1cc(Br)c2ncc(Br)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
DYRK1A Q13627 2/20 0.42
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
PRNP P04156 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL1361039 0.81 DYRK1A (0.40) KMT2AHTTDYRK1AMAPTGAA
SCHEMBL1927191 0.81 DYRK1A (0.40) KMT2AHTTDYRK1AMAPTALDH1A1
SCHEMBL1928507 0.81 DYRK1A (0.40) KMT2AHTTDYRK1AMAPTALDH1A1
SCHEMBL31378854 0.81 DYRK1A (0.40) KMT2AHTTDYRK1AMAPTALDH1A1
SCHEMBL533275 0.76 PRNP (0.42) KMT2AHTTDYRK1AMAPTALDH1A1
SCHEMBL20951343 0.72 HTT (0.42) KMT2AHTTDYRK1AMAPTALDH1A1
SCHEMBL3801852 0.72 PRNP (0.35) KMT2AHTTDYRK1AMAPTGAA
SCHEMBL11863867 0.71 HTT (0.40) KMT2AHTTDYRK1ASMN1; SMN2
SCHEMBL15007502 0.71 KDM4E (0.48) KMT2AHTTMAPTALDH1A1KDM4E
SCHEMBL29234947 0.69 HTT (0.39) KMT2AHTTDYRK1AMAPTALDH1A1

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 16 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
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
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
US-7371764-B2 Quinolin-isoquinolin-and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2008-05-13 US disclosed
EP-1567010-B1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2007-10-24 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 (4 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 KMT2A 66/4885HTT 4197/4885DYRK1A 2692/4885
US-20070072884-A1 QUINOLIN-ISOQUINOLIN-AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES CBR3, CBR1, POR KMT2A 2841/4885HTT 3157/4885DYRK1A 1844/4885
US-20060019973-A1 Quinolin-,isoquinolin-,and quinazolin-oxyalkylamides and their use as fungicides CYP4X1, CYP51A1, CYP1A2 KMT2A 1444/4885HTT 2657/4885DYRK1A 1601/4885
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 KMT2A 227/4885HTT 1200/4885DYRK1A 3076/4885

“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.