SCHEMBL3760732

SCHEMBL3760732

CC(C)c1cc[n+]([O-])c(S(=O)(=O)Cc2c(C(F)(F)F)nn(C)c2OCC(F)(F)F)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL3761450 0.87 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL4555717 0.86 NPSR1 (0.34) ALDH1A1LMNA
SCHEMBL3759394 0.83 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL3761246 0.79 MEN1 (0.32)
SCHEMBL3759493 0.77 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL3758518 0.76 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL3748475 0.73 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL4439919 0.72 KDM4E (0.36) ALDH1A1LMNA
SCHEMBL3754275 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1223797 0.70 MAPT (0.32) ALDH1A1LMNA

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 ALDH1A1 434/4885LMNA 4752/4885

“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.