SCHEMBL3781467

SCHEMBL3781467

Cn1nc(C(=O)O)c(C(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL28299441 0.86
SCHEMBL16635550 0.82
SCHEMBL1412413 0.79 NPSR1 (0.42) KMT2A
SCHEMBL2186183 0.78 ALDH1A1 (0.35)
SCHEMBL16856775 0.68 HCAR2 (0.36) MEN1KMT2A
SCHEMBL18838974 0.68 MCL1 (0.31)
SCHEMBL17627086 0.68 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL936108 0.68 GLA (0.37) MEN1KMT2A
SCHEMBL8915968 0.67
SCHEMBL27605193 0.67 SRC (0.32)

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 7 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-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 MEN1 1691/4885KMT2A 1907/4885
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES CBR3, CCR4, CBR1 MEN1 1061/4885KMT2A 3927/4885

“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.