SCHEMBL4526758

SCHEMBL4526758

CC(=O)C(N)C(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
CYP2D6 P10635 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC7A5 Q01650 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 1/20 0.36
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL27598805 0.89 KMT2A (0.47) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL6647558 0.89 KMT2A (0.47) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL6702668 0.89 KMT2A (0.47) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL24851748 0.83 KMT2A (0.52) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL1919826 0.83 CYP2D6 (0.50) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL10776110 0.82 KMT2A (0.44) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL4520911 0.81 KMT2A (0.46) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL6367587 0.81 KMT2A (0.46) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL6701590 0.81 KMT2A (0.46) KMT2ACYP2D6AAK1ATML3MBTL1
SCHEMBL6367884 0.80 KMT2A (0.43) KMT2ACYP2D6AAK1ATML3MBTL1

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
EP-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
EP-1697308-A4 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK & CO INC (US) 2007-08-22 EP disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
EP-1697308-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005065195-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-07-21 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 (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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP KMT2A 1428/4885CYP2D6 1739/4885AAK1 1004/4885

“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.