SCHEMBL3343013

SCHEMBL3343013

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TP53 P04637 2/20 0.40
USP2 O75604 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 2/20 0.40
RIPK1 Q13546 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 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
SCHEMBL4123888 1.00 PARP1 (0.48) PARP1GAAALDH1A1HPGDMEN1
SCHEMBL3343007 1.00 PARP1 (0.48) PARP1GAAALDH1A1HPGDMEN1
SCHEMBL3343581 0.84 PARP1 (0.44) PARP1GAAALDH1A1HPGDMEN1
SCHEMBL15564765 0.83 PARP1 (0.55) PARP1GAAALDH1A1HPGDMEN1
SCHEMBL15564861 0.83 PARP1 (0.55) PARP1GAAALDH1A1HPGDMEN1
SCHEMBL4900102 0.83 IDO1 (0.43) PARP1GAAALDH1A1MEN1KMT2A
SCHEMBL4912762 0.83 IDO1 (0.43) PARP1GAAALDH1A1MEN1KMT2A
SCHEMBL14269877 0.82 PARP1 (0.42) PARP1GAAALDH1A1HPGDMEN1
SCHEMBL3408398 0.80 TP53 (0.42) PARP1GAAALDH1A1HPGDMEN1
SCHEMBL3408405 0.80 TP53 (0.42) PARP1GAAALDH1A1HPGDMEN1

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 PARP1 2655/4885GAA 29/4885ALDH1A1 2343/4885
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 3373/4885GAA 215/4885ALDH1A1 1630/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP PARP1 2827/4885GAA 25/4885ALDH1A1 2328/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 PARP1 4396/4885GAA 1895/4885ALDH1A1 1230/4885

“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.