SCHEMBL4538153

SCHEMBL4538153

COc1cncc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.67
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
APP P05067 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5 P09917 1/20 0.47
BCHE P06276 1/20 0.47
ABCB1 P08183 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL8512404 0.91 MAOB (0.56) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL13535019 0.86 AOC3 (0.54) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL6584828 0.85 MAOB (0.53) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL23906959 0.83 MAOB (0.79) MAOBAPPMEN1KMT2AALOX5
SCHEMBL6584825 0.83 MAOB (0.50) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL13535014 0.83 PDGFRB (0.49) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL10154065 0.81 APP (0.53) MAOBAPP
SCHEMBL20314429 0.81 MAPK1 (0.49) MAOBPDGFRBPDGFRAALOX5BCHE
SCHEMBL6582384 0.81 CYP1A2 (0.56) MAOBPDGFRBPDGFRAMEN1KMT2A
SCHEMBL791569 0.80 MAOB (1.00) MAOBAPPBCHEABCB1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101868457-B (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2013-02-13 CN disclosed
CN-101868457-A (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2010-10-20 CN disclosed
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
CN-101198583-A Compounds which inhibit beta-secretase activity and methods of use PURDUE RESEARCH FOUNDATION (US) 2008-06-11 CN disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP MAOB 908/4885PDGFRB 1692/4885PDGFRA 2993/4885

“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.