SCHEMBL3344154

SCHEMBL3344154

O=C1C[C@@H](c2ccccc2)Cc2ccccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.60
CREBBP Q92793 7/20 0.60
HPGD P15428 1/20 0.52
AHR P35869 1/20 0.52
PDK2 Q15119 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
EP300 Q09472 1/20 0.45
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3344150 1.00 BRD4 (0.60) BRD4CREBBPHPGDAHRPDK2
SCHEMBL9271327 0.84 BRD4 (0.54) BRD4CREBBPHPGDAHRPDK2
SCHEMBL5386997 0.83 MAPT (0.59) BRD4HPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL7944860 0.78 CREBBP (0.58) BRD4CREBBPAHRPDK2ALDH1A1
SCHEMBL19259473 0.75 BRD4 (0.64) BRD4CREBBPAHRPDK2ALDH1A1
SCHEMBL14932321 0.75 BRD4 (0.64) BRD4CREBBPAHRPDK2ALDH1A1
SCHEMBL1347231 0.75 CREBBP (1.00) BRD4CREBBPAHRPDK2ALDH1A1
SCHEMBL4742061 0.74 GAA (0.56) MAPTGAACYP19A1PIM1FLT3
SCHEMBL31490454 0.74 GAA (0.56) MAPTGAACYP19A1PIM1FLT3
SCHEMBL5668502 0.74 DDB1 (0.50) BRD4CREBBPHPGDAHRPDK2

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 BRD4 2694/4885CREBBP 302/4885HPGD 1442/4885
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 BRD4 284/4885CREBBP 141/4885HPGD 850/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP BRD4 3144/4885CREBBP 374/4885HPGD 1060/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 BRD4 978/4885CREBBP 657/4885HPGD 3166/4885

“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.