SCHEMBL3756799

SCHEMBL3756799

Cn1nc(C(F)(F)F)c(C[S+]([O-])c2ccc(Cl)c[n+]2[O-])c1OC(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 5/20 0.33
CYP1A2 P05177 4/20 0.33
CYP2C9 P11712 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2D6 P10635 3/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 3/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 4/20 0.31
GAA P10253 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
SCHEMBL3746513 0.85 MEN1 (0.32) MEN1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL3751493 0.80 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ACYP2C19CYP1A2
SCHEMBL3763121 0.80
SCHEMBL3753716 0.79 ALOX5AP (0.31)
SCHEMBL4555331 0.76 KDM4E (0.35) MEN1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL1027317 0.75
SCHEMBL1026608 0.75 ALOX5AP (0.30)
SCHEMBL1222760 0.72
SCHEMBL1028331 0.72
SCHEMBL1223224 0.72

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 6 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
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP claimed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 WO 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 SMN1; SMN2 3285/4885MEN1 3920/4885KMT2A 3291/4885

“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.