SCHEMBL3409899

SCHEMBL3409899

Cc1cc(CNCC(=O)OCc2ccccc2)nc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.43
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPID Q08752 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5369633 0.75 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL5369625 0.74 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7695939 0.73 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL3409903 0.73 KMT2A (0.42) PLAUALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL6518216 0.72 PPID (0.59) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL8053510 0.72 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL17505967 0.71 S1PR1 (0.43) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL21960006 0.71 LMNA (0.56) ALDH1A1L3MBTL1MAPK1MAPTSMN1; SMN2
SCHEMBL2135402 0.71 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1MEN1MAPT
SCHEMBL31174375 0.71 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1MEN1MAPT

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 PLAU 1568/4885ALDH1A1 2956/4885L3MBTL1 228/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PLAU 1681/4885ALDH1A1 2860/4885L3MBTL1 185/4885

“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.