SCHEMBL3343286

SCHEMBL3343286

COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@H]2NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PSEN1 P49768 11/20 0.43
PSEN2 P49810 11/20 0.43
APH1B Q8WW43 11/20 0.43
NCSTN Q92542 11/20 0.43
APH1A Q96BI3 11/20 0.43
PSENEN Q9NZ42 11/20 0.43
GSAP A4D1B5 1/20 0.40
PKM P14618 1/20 0.38
SLC2A1 P11166 1/20 0.38
SRC P12931 3/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL3343225 0.94 PSEN1 (0.46) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3340581 0.93 PSEN1 (0.46) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3343883 0.92 PSEN1 (0.45) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3345093 0.92 PSEN1 (0.47) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3347330 0.91 PSEN1 (0.44) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3342758 0.88 PSEN1 (0.43) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3346680 0.87 PSEN1 (0.44) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3345111 0.87 PSEN1 (0.43) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3343011 0.87 PSEN1 (0.43) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3343998 0.87 PSEN1 (0.43) MEN1KMT2APSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP claimed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
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 MEN1 1947/4885KMT2A 4442/4885PSEN1 6/4885
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 MEN1 4378/4885KMT2A 2922/4885PSEN1 3/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP MEN1 2194/4885KMT2A 4483/4885PSEN1 6/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 MEN1 68/4885KMT2A 1685/4885PSEN1 157/4885

“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.