SCHEMBL3759353

SCHEMBL3759353

Cc1cc[n+]([O-])c(SCc2c(C(F)(F)F)nn(C)c2OCC(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3761246 0.87 MEN1 (0.32) MEN1KMT2ASMN1; SMN2
SCHEMBL3761450 0.80 ALDH1A1 (0.34) CYP2C9CYP2C19
SCHEMBL3754275 0.72 ALDH1A1 (0.32) CYP2C9CYP2C19
SCHEMBL3757052 0.72 LMNA (0.39) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL1027343 0.70 MPO (0.33) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4161956 0.69 MPO (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL4171348 0.69 L3MBTL1 (0.32) MEN1KMT2ASMN1; SMN2
SCHEMBL4164764 0.69 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL3754415 0.68 MEN1 (0.33) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL3753694 0.68 MEN1 (0.40) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9

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 3 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 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 3920/4885KMT2A 3291/4885SMN1; SMN2 3285/4885

“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.