SCHEMBL2212403

SCHEMBL2212403

CCCCC(Cc1ccccc1)(NC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
EPHX2 P34913 1/20 0.41
CNR2 P34972 3/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
CTSK P43235 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
HDAC3 O15379 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL27562640 0.84 MMP1 (0.40) SMN1; SMN2HIF1AMMP1MMP9MMP13
SCHEMBL28465870 0.83 LMNA (0.48) LMNACYP2D6SMN1; SMN2HIF1AALDH1A1
SCHEMBL5188910 0.82 ALDH1A1 (0.42) LMNACYP2D6SMN1; SMN2HIF1AEPHX2
SCHEMBL29232999 0.81 EPHX2 (0.52) EPHX2CNR2KMT2AHPGDMEN1
SCHEMBL27300436 0.80 LMNA (0.48) LMNACYP2D6SMN1; SMN2HIF1AKMT2A
SCHEMBL21621500 0.80 LMNA (0.48) LMNACYP2D6SMN1; SMN2HIF1AKMT2A
SCHEMBL332422 0.80 LMNA (0.48) LMNACYP2D6SMN1; SMN2HIF1AKMT2A
SCHEMBL8867338 0.78 ASAH1 (0.48) LMNASMN1; SMN2L3MBTL1CTSKALDH1A1
SCHEMBL28003878 0.77 SMN1; SMN2 (0.47) LMNASMN1; SMN2HIF1AMMP1MMP9
SCHEMBL12506356 0.76 ARG1 (0.41) KMT2ATDP1MEN1ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689713-B1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
US-7354942-B2 Benzylether and benzylamino beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-04-08 US disclosed
US-20070088165-A1 preventing the formation of insoluble A beta and arresting the production of A beta; beta-site amyloid precursor protein-cleaving enzyme; 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-[methyl(methylsulfonyl)amino]benzamide MERCK SHARP & DOHME LLC 2007-04-19 US disclosed
CN-1882544-A Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer s disease MERCK & CO INC (US) 2006-12-20 CN 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-20070088165-A1 preventing the formation of insoluble A beta and arresting the production of A beta; beta-site amyloid precursor protein-cleaving enzyme; 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-[methyl(methylsulfonyl)amino]benzamide BACE1, BACE2, APP LMNA 782/4885CYP2D6 2189/4885SMN1; SMN2 356/4885

“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.