SCHEMBL3409879

SCHEMBL3409879

Cc1cc(N(C)CC(=O)OC(C)(C)C)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.31
GSTO1 P78417 1/20 0.31
NR1D1 P20393 2/20 0.31
NR1H3 Q13133 1/20 0.31
FFAR1 O14842 1/20 0.30
GAA P10253 1/20 0.30
STK17B O94768 1/20 0.30
STK17A Q9UEE5 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
SCHEMBL31032354 0.82 MEN1 (0.40) MEN1KMT2AGAA
SCHEMBL31032340 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL31032310 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL31032277 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL31032358 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL3409903 0.76 KMT2A (0.42) MEN1KMT2AALDH1A1
SCHEMBL5794142 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1GAASTK17B
SCHEMBL3410479 0.70 KMT2A (0.59) MEN1KMT2AALDH1A1GAA
SCHEMBL5804885 0.70 MEN1 (0.38) MEN1KMT2ASTK17BSTK17A
SCHEMBL899172 0.70 KDM4E (0.40) ALDH1A1GSTO1

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-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB MEN1 1852/4885KMT2A 2755/4885ALDH1A1 2956/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB MEN1 1873/4885KMT2A 2670/4885ALDH1A1 2860/4885

“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.