SCHEMBL3753694

SCHEMBL3753694

CC(=O)SCc1c(C(F)(F)F)nn(C)c1OCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.32
PKM P14618 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.30
CYP2D6 P10635 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
SCHEMBL22939563 0.83 MEN1 (0.39) MEN1KMT2ACYP1A2CYP2C9CYP2C19
Bromide SCHEMBL5382542 0.82 IDO1 (0.35) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22939561 0.79 MEN1 (0.41) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4173041 0.79 SMN1; SMN2 (0.36) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4169708 0.76 KMT2A (0.33) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3753144 0.76 KMT2A (0.33) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4164008 0.76 KMT2A (0.33) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13930385 0.75 PKM (0.38) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4171206 0.73 MEN1 (0.35) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4171295 0.73 MEN1 (0.35) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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 1 patent. 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

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 3291/4885CYP1A2 36/4885

“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.