SCHEMBL3343396

SCHEMBL3343396

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
BRD4 O60885 2/20 0.43
CREBBP Q92793 2/20 0.43
CA2 P00918 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 2/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4923583 1.00 PARP1 (0.54) PARP1BRD4CREBBPCA2HPGD
SCHEMBL13991180 1.00 PARP1 (0.54) PARP1BRD4CREBBPCA2HPGD
Hydrochloric Acid SCHEMBL4901800 0.98 PARP1 (0.53) PARP1BRD4CREBBPCA2HPGD
Hydrochloric Acid SCHEMBL4907950 0.98 PARP1 (0.53) PARP1BRD4CREBBPCA2HPGD
Hydrochloric Acid SCHEMBL4110963 0.98 PARP1 (0.53) PARP1BRD4CREBBPCA2HPGD
SCHEMBL8340247 0.83 MAOB (0.40) PARP1BRD4CA2ALDH1A1HSD17B10
SCHEMBL3346129 0.82 PARP1 (0.56) PARP1BRD4CREBBPCA2HPGD
SCHEMBL4903088 0.82 PARP1 (0.56) PARP1BRD4CREBBPCA2HPGD
SCHEMBL14367228 0.82 PARP1 (0.56) PARP1BRD4CREBBPCA2HPGD
SCHEMBL3344870 0.82 PARP1 (0.56) PARP1BRD4CREBBPCA2HPGD

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 18 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-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 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-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-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
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 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
EP-1831187-A1 NOVEL MOLECULAR PROBES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065218-A1 NOVEL MOLECULAR PROBES ASTRAZENECA AB (SE) 2006-06-22 WO 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 (5 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 PARP1 2655/4885BRD4 2694/4885CREBBP 302/4885
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 PARP1 3373/4885BRD4 284/4885CREBBP 141/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP PARP1 2827/4885BRD4 3144/4885CREBBP 374/4885
US-20080311609-A1 Novel Molecular Probes BACE1, BACE2, PSEN1 PARP1 764/4885BRD4 1651/4885CREBBP 1762/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 PARP1 4396/4885BRD4 978/4885CREBBP 657/4885

“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.