SCHEMBL1360975

SCHEMBL1360975

CCSC(=O)C(C)Oc1cc(Cl)nc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
HIF1A Q16665 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 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
SCHEMBL5230792 0.78 CYP1A2 (0.49) GAAKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL2931018 0.76 MAPT (0.38) OGG1TDP1GAAL3MBTL1MAPT
SCHEMBL1360976 0.71 L3MBTL1 (0.35) TDP1GAAL3MBTL1MAPTKMT2A
SCHEMBL1360586 0.70 MAPT (0.33) OGG1TDP1L3MBTL1MAPTKMT2A
SCHEMBL1360404 0.68 SMN1; SMN2 (0.39) OGG1GAASMN1; SMN2CYP1A2TSHR
SCHEMBL22176946 0.67
SCHEMBL22946463 0.67
SCHEMBL6982295 0.63 S1PR2 (0.44) L3MBTL1MAPTKMT2ABCHEACHE
SCHEMBL28552196 0.63 ALPI (0.40) BCHEACHEALDH1A1SMN1; SMN2NPSR1
SCHEMBL11000782 0.62 ALDH1A1 (0.34) KMT2AALDH1A1SMN1; SMN2S1PR2

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 5 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
EP-1638928-B1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LTD (GB) 2010-09-29 EP disclosed
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2007-02-22 US 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 (1 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-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 OGG1 2839/4885TDP1 1651/4885GAA 1688/4885

“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.