SCHEMBL1930028

SCHEMBL1930028

COC(=O)c1nn(C)nc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
ELANE P08246 4/20 0.42
PLAU P00749 3/20 0.42
F2 P00734 2/20 0.42
KDM4E B2RXH2 7/20 0.42
MAPT P10636 3/20 0.42
KDM4C Q9H3R0 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL1930032 0.91 NPSR1 (0.48) NPSR1ELANEPLAUF2KDM4E
SCHEMBL1930473 0.89 NPSR1 (0.46) NPSR1ELANEPLAUF2KDM4E
SCHEMBL17997398 0.87 NPSR1 (0.48) NPSR1ELANEPLAUF2KDM4E
SCHEMBL19207112 0.85 NPSR1 (0.46) NPSR1ELANEPLAUF2KDM4E
SCHEMBL1930564 0.83 NPSR1 (0.45) NPSR1ELANEPLAUF2KDM4E
SCHEMBL1930739 0.82 NPSR1 (0.43) NPSR1ELANEPLAUF2KDM4E
SCHEMBL3605755 0.80 NPSR1 (0.42) NPSR1ELANEPLAUF2KDM4E
SCHEMBL1930002 0.80 NPC1 (0.44) NPSR1ELANEPLAUF2KDM4E
SCHEMBL1412413 0.80 NPSR1 (0.42) NPSR1ELANEPLAUF2KDM4E
SCHEMBL9645071 0.76 NPSR1 (0.52) NPSR1ELANEPLAUF2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258690-B1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2013-02-20 EP disclosed
EP-1539717-B1 MICROBIOCIDAL (E.G FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-07-13 EP disclosed
US-7956194-B2 Microbiocidal (E.G. fungicidal) 1,2,3-triazole derivatives SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
EP-2258690-A1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives Syngenta Participations AG (CH) 2010-12-08 EP disclosed
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2009-08-27 US disclosed
US-7531559-B2 Fungicidal 1,2,3 triazole derivatives SYNGENTA CROP PROTECTION, INC. (US) 2009-05-12 US disclosed
US-20060154967-A1 e.g. [2-methyl-5-trifluoromethyl-2H-1,2,3-triazole-4-carboxylic acid methyl ester; fungicide; against the phytopathogenic fungi: Fungi imperfecti (Botrytis, Pyricularia, Helminthosporium), Basidiomycetes (Rhizoctonia, Hemileia), Ascomycetes classes (Venturia, Erysiphe), Oomycetes classes (Phytophthora) SYNGENTA CROP PROTECTION, INC. 2006-07-13 US disclosed
EP-1539717-A2 MICROBIOCIDAL (E.G FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2005-06-15 EP disclosed
WO-2004018438-A2 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-03-04 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-20060154967-A1 e.g. [2-methyl-5-trifluoromethyl-2H-1,2,3-triazole-4-carboxylic acid methyl ester; fungicide; against the phytopathogenic fungi: Fungi imperfecti (Botrytis, Pyricularia, Helminthosporium), Basidiomycetes (Rhizoctonia, Hemileia), Ascomycetes classes (Venturia, Erysiphe), Oomycetes classes (Phytophthora) CBR3, PAH, CBR1 NPSR1 4575/4885ELANE 3299/4885PLAU 4868/4885
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES CBR3, CCR4, CBR1 NPSR1 2206/4885ELANE 380/4885PLAU 4556/4885

“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.