SCHEMBL3409903

SCHEMBL3409903

Cc1cc(N(C)CC(=O)OCc2ccccc2)nc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.39
DHODH Q02127 1/20 0.39
PLAU P00749 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL10787316 0.74 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL3409899 0.73 PLAU (0.43) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL7385966 0.72 ALDH1A1 (0.51) KMT2ASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL17505968 0.72 ALDH1A1 (0.44) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL20644643 0.72 ALDH1A1 (0.58) KMT2AMAPTTSHRALDH1A1L3MBTL1
SCHEMBL19726788 0.71 ALDH1A1 (0.61) KMT2AMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL8377212 0.71 ALDH1A1 (0.61) KMT2AMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL14586581 0.71 ALDH1A1 (0.61) KMT2AMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL8377215 0.71 ALDH1A1 (0.61) KMT2AMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL6498651 0.70 MAPT (0.51) KMT2AMEN1MAPTTSHRALDH1A1

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 7 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
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 CN 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 KMT2A 2755/4885MEN1 1852/4885SMN1; SMN2 1705/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB KMT2A 2670/4885MEN1 1873/4885SMN1; SMN2 1510/4885

“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.