SCHEMBL3342748

SCHEMBL3342748

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
KDM4E B2RXH2 10/20 0.38
TDP1 Q9NUW8 6/20 0.38
MAPT P10636 6/20 0.38
RECQL P46063 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 3/20 0.38
SLC15A2 Q16348 3/20 0.38
POLB P06746 2/20 0.38
THRB P10828 1/20 0.38
TEK Q02763 1/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 5/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 2/20 0.37
NR1I2 O75469 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL4716021 1.00 TP53 (0.43) TP53KDM4ETDP1MAPTRECQL
SCHEMBL3342759 1.00 TP53 (0.43) TP53KDM4ETDP1MAPTRECQL
SCHEMBL3408405 0.87 TP53 (0.42) TP53MAPTKMT2AHPGDMEN1
SCHEMBL3408398 0.87 TP53 (0.42) TP53MAPTKMT2AHPGDMEN1
SCHEMBL3343581 0.83 PARP1 (0.44) TP53MAPTKMT2AHPGDMEN1
SCHEMBL14269877 0.81 PARP1 (0.42) TP53MAPTKMT2AHPGDMEN1
SCHEMBL3343284 0.80 TP53 (0.43) TP53KDM4EMAPTKMT2AMEN1
SCHEMBL3343289 0.80 TP53 (0.43) TP53KDM4EMAPTKMT2AMEN1
SCHEMBL5644435 0.80 GAA (0.39) TP53KDM4ETDP1MAPTKMT2A
SCHEMBL5644439 0.80 GAA (0.39) TP53KDM4ETDP1MAPTKMT2A

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 13 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-7183296-B2 Anti-HIV pyrazole derivatives ROCHE PALO ALTO LLC (US) 2007-02-27 US 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
US-20040192752-A1 Anti-HIV pyrazole derivatives DYMOCK BRIAN WILLIAM (GB) 2004-09-30 US disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed
US-6699887-B2 ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION HOFFMANN-LA ROCHE INC. 2004-03-02 US disclosed
US-20030018197-A1 Anti-HIV pyrazole derivatives HOFFMANN-LA ROCHE INC. 2003-01-23 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 (6 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-20040192752-A1 Anti-HIV pyrazole derivatives CYP51A1, TYMP, POLRMT TP53 3502/4885KDM4E 1676/4885TDP1 807/4885
US-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B TP53 4815/4885KDM4E 4277/4885TDP1 1601/4885
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 4478/4885KDM4E 2187/4885TDP1 1730/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TP53 4810/4885KDM4E 4298/4885TDP1 1707/4885
US-20030018197-A1 Anti-HIV pyrazole derivatives CYP51A1, TYMP, POLRMT TP53 3502/4885KDM4E 1676/4885TDP1 807/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TP53 243/4885KDM4E 1937/4885TDP1 4578/4885

“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.