SCHEMBL3757052

SCHEMBL3757052

Cn1nc(C(F)(F)F)c(CSc2cccc[n+]2[O-])c1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 4/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2C9 P11712 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 5/20 0.33
HTT P42858 3/20 0.32
CYP3A4 P08684 2/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32

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 0.79 MEN1 (0.32) KMT2ACYP1A2CYP2C19CYP2C9MEN1
SCHEMBL3748475 0.77 ALDH1A1 (0.33) LMNAKMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL26103877 0.76 MEN1 (0.33) KMT2ACYP1A2CYP2C19CYP2C9MEN1
SCHEMBL25907567 0.73 CYP1A2 (0.39) LMNAKMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL25448854 0.73 CYP1A2 (0.37) LMNANPC1KMT2ACYP1A2CYP2C19
SCHEMBL1027187 0.72 MPO (0.32) KMT2AMEN1SMN1; SMN2
SCHEMBL3759353 0.72 MEN1 (0.34) KMT2ACYP1A2CYP2C19CYP2C9MEN1
SCHEMBL3761246 0.71 MEN1 (0.32) KMT2AMEN1SMN1; SMN2
SCHEMBL31415034 0.71 MEN1 (0.31) KMT2AMEN1SMN1; SMN2
SCHEMBL31415033 0.71 MEN1 (0.31) KMT2AMEN1SMN1; SMN2

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 LMNA 4752/4885RAB9A 3000/4885NPC1 4368/4885

“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.