SCHEMBL4156693

SCHEMBL4156693

CC1=NC(NC(=O)OCc2ccccc2)C(=O)Nc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.43
BRD2 P25440 6/20 0.43
BRD3 Q15059 6/20 0.43
CCKBR P32239 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
IDO1 P14902 3/20 0.41
TDO2 P48775 2/20 0.41
CCKAR P32238 1/20 0.41
SENP1 Q9P0U3 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
SCHEMBL13904861 1.00 BRD4 (0.43) BRD4BRD2BRD3CCKBRGPBAR1
SCHEMBL7546575 0.88 CCKBR (0.53) BRD4BRD2BRD3CCKBRIDO1
SCHEMBL6005277 0.88 CCKBR (0.53) BRD4BRD2BRD3CCKBRIDO1
SCHEMBL9248094 0.88 CCKBR (0.53) BRD4BRD2BRD3CCKBRIDO1
SCHEMBL1574481 0.80 BRD4 (0.62) BRD4BRD2BRD3CCKBRCCKAR
SCHEMBL1574479 0.80 BRD4 (0.62) BRD4BRD2BRD3CCKBRCCKAR
SCHEMBL4148160 0.80 SCN9A (0.49) BRD4BRD2BRD3CCKBRCCKAR
SCHEMBL13904864 0.80 SCN9A (0.49) BRD4BRD2BRD3CCKBRCCKAR
SCHEMBL4698221 0.79 CCKBR (0.59) CCKBRCCKARSENP1
SCHEMBL7550804 0.79 BRD4 (0.45) BRD4BRD2BRD3CCKBRSENP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 US disclosed
US-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-05 US disclosed
US-7456278-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-11-25 US disclosed
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 US disclosed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 US disclosed
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-05-01 US disclosed
US-7354914-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-04-08 US disclosed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 US disclosed
US-7112583-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-26 US disclosed
US-20050261274-A1 Lactams substituted by cyclic succinates as inhibitors of Abeta protein production OLSON RICHARD E 2005-11-24 US disclosed
US-6960576-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
US-6958329-B2 Lactams substituted by cyclic succinates as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production OLSON RICHARD E (US) 2005-05-26 US disclosed
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-09-04 US disclosed
US-20030119815-A1 Lactams substituted by cyclic succinates as inhibitors of A-beta protein production OLSON RICHARD E (US) 2003-06-26 US disclosed
US-6509333-B2 Lactams substituted by cyclic succinates as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-21 US disclosed
US-6503902-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 US disclosed
US-20020137737-A1 Lactams substituted by cyclic succinates as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-26 US disclosed
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-02 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 (11 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-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A BRD4 4052/4885BRD2 3246/4885BRD3 3962/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A BRD4 3720/4885BRD2 3007/4885BRD3 3789/4885
US-20020137737-A1 Lactams substituted by cyclic succinates as inhibitors of a beta protein production APP, BACE1, APH1A BRD4 4216/4885BRD2 4083/4885BRD3 4490/4885
US-20050261274-A1 Lactams substituted by cyclic succinates as inhibitors of Abeta protein production BACE1, APP, APH1A BRD4 3825/4885BRD2 3642/4885BRD3 4136/4885
US-20030166636-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A-beta protein production APP, APH1A, APH1B BRD4 4067/4885BRD2 3628/4885BRD3 4198/4885
US-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production APP, APH1A, BACE1 BRD4 4078/4885BRD2 3497/4885BRD3 4120/4885
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production APP, BACE1, APH1A BRD4 3720/4885BRD2 3007/4885BRD3 3789/4885
US-20090062256-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BACE1, APP, APH1A BRD4 3825/4885BRD2 3642/4885BRD3 4136/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A BRD4 3720/4885BRD2 3007/4885BRD3 3789/4885
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION APH1A, APH1B, APP BRD4 3102/4885BRD2 1997/4885BRD3 3510/4885
US-20030119815-A1 Lactams substituted by cyclic succinates as inhibitors of A-beta protein production APH1A, APH1B, APP BRD4 4298/4885BRD2 4067/4885BRD3 4505/4885

“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.