SCHEMBL534734

SCHEMBL534734

Oc1cc(Cl)c2ncc(Br)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.39
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HTT P42858 3/20 0.33
DYRK1A Q13627 2/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
MET P08581 1/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 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
SCHEMBL533275 0.81 PRNP (0.42) PLAUHPGDCYP3A4HTTDYRK1A
SCHEMBL31378698 0.79 PLAU (0.36) PLAUHPGDHTTDYRK1ANPSR1
SCHEMBL1926191 0.78 DYRK1A (0.33) HPGDHTTDYRK1ALMNAPRNP
SCHEMBL2316611 0.78 HSD17B10 (0.37) HPGDHSD17B10CYP3A4CRHBPCRHR2
SCHEMBL1927586 0.78 ESR1 (0.33) HPGDHTTDYRK1ALMNAPRNP
SCHEMBL534655 0.78 HTT (0.40) HPGDCYP3A4HTTDYRK1ALMNA
SCHEMBL1361039 0.78 DYRK1A (0.40) PLAUHPGDHSD17B10CYP3A4HTT
SCHEMBL3100730 0.74 ESR1 (0.33) HPGDHSD17B10HTTDYRK1ALMNA
SCHEMBL5558125 0.72 NR4A2 (0.38) PLAULMNAALDH1A1MAPT
SCHEMBL1927481 0.70 PLAU (0.35) PLAUHTTDYRK1AKMT2A

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
WO-2022128746-A1 QUINOLINE DERIVATIVES AS ENDOPARASITICIDES ELANCO TIERGESUNDHEIT AG (CH) 2022-06-23 WO disclosed
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
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
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-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
WO-2009049716-A2 NOVEL FUNGICIDES SYGENTA PARTICIPATIONS AG (CH) 2009-04-23 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
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 (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 PLAU 4885/4885HPGD 4169/4885HSD17B10 1896/4885
US-20100286199-A1 NOVEL FUNGICIDES CYP51A1, CYP4X1, CYP1B1 PLAU 4883/4885HPGD 4633/4885HSD17B10 312/4885
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 PLAU 4849/4885HPGD 4720/4885HSD17B10 1424/4885

“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.