SCHEMBL3349518

SCHEMBL3349518

N[C@@H]1C(=O)N(CC(=O)O)c2ccccc2O[C@@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MME P08473 4/20 0.45
ACE P12821 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.40

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
SCHEMBL4908073 0.86 TSHR (0.51) ALDH1A1L3MBTL1NPC1RAB9ATSHR
SCHEMBL7345991 0.84 MME (0.55) ALDH1A1L3MBTL1MMEACENPC1
SCHEMBL7345996 0.84 MME (0.55) ALDH1A1L3MBTL1MMEACENPC1
SCHEMBL10711937 0.81 MME (0.47) ALDH1A1L3MBTL1MMEACENPC1
SCHEMBL10712695 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1MMEACENPC1
SCHEMBL3342962 0.80 MAOA (0.40) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL3406444 0.80 F10 (0.41) ALDH1A1L3MBTL1KMT2ATSHR
SCHEMBL3347335 0.80 F10 (0.41) ALDH1A1L3MBTL1KMT2ATSHR
SCHEMBL6207663 0.80 MAOA (0.40) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL4905921 0.80 NPC1 (0.47) ALDH1A1L3MBTL1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 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 (4 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B ALDH1A1 2343/4885L3MBTL1 4126/4885MME 345/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 ALDH1A1 1630/4885L3MBTL1 4806/4885MME 774/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP ALDH1A1 2328/4885L3MBTL1 4401/4885MME 263/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 ALDH1A1 1230/4885L3MBTL1 3933/4885MME 673/4885

“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.