SCHEMBL3408405

SCHEMBL3408405

O=C(O)N[C@H](C(=O)N[C@@H]1C(=O)Nc2ccccc2O[C@H]1c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
GAA P10253 2/20 0.36
PARP1 P09874 1/20 0.36
CCKAR P32238 2/20 0.34
CCKBR P32239 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3408398 1.00 TP53 (0.42) TP53MAPTTHRBGAAPARP1
SCHEMBL4716021 0.87 TP53 (0.43) TP53MAPTTHRBGAAPARP1
SCHEMBL3342748 0.87 TP53 (0.43) TP53MAPTTHRBGAAPARP1
SCHEMBL3342759 0.87 TP53 (0.43) TP53MAPTTHRBGAAPARP1
SCHEMBL3343289 0.86 TP53 (0.43) TP53MAPTTHRBGAAMEN1
SCHEMBL3343284 0.86 TP53 (0.43) TP53MAPTTHRBGAAMEN1
SCHEMBL3346823 0.85 GAA (0.44) TP53MAPTTHRBGAAKMT2A
SCHEMBL3346829 0.85 GAA (0.44) TP53MAPTTHRBGAAKMT2A
SCHEMBL5644439 0.83 GAA (0.39) TP53MAPTTHRBGAAPARP1
SCHEMBL5644435 0.83 GAA (0.39) TP53MAPTTHRBGAAPARP1

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 7 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

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 TP53 4815/4885MAPT 23/4885THRB 1543/4885
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 TP53 4478/4885MAPT 24/4885THRB 1738/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TP53 4810/4885MAPT 24/4885THRB 1890/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TP53 243/4885MAPT 1368/4885THRB 2179/4885

“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.