SCHEMBL3746513

SCHEMBL3746513

Cn1nc(C(F)(F)F)c(C[S+]([O-])c2cccc[n+]2[O-])c1OC(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3763121 0.87
SCHEMBL3754415 0.86 MEN1 (0.33) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL3753716 0.86 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL3756799 0.85 SMN1; SMN2 (0.35) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL4555331 0.81 KDM4E (0.35) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL3757052 0.79 LMNA (0.39) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL3748475 0.77 ALDH1A1 (0.33) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1223224 0.74
SCHEMBL1222760 0.74
SCHEMBL1028331 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298141-A1 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-25 US claimed
US-20100298141-A1 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-25 US disclosed
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 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-20100298141-A1 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES CYP3A7, CYP2W1, CBR3 MEN1 3920/4885CYP1A2 36/4885CYP2C9 98/4885

“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.