SCHEMBL4494489

SCHEMBL4494489

[CH2]c1cccc(-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
NISCH Q9Y2I1 1/20 0.40
RPA1 P27694 1/20 0.38
PGR P06401 5/20 0.38
AHR P35869 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MDM2 Q00987 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ESR2 Q92731 1/20 0.37
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 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
SCHEMBL2093613 0.82 HSD17B1 (0.44) HSD17B1HSD17B2CREBBPESR2
SCHEMBL31067035 0.80 TAAR1 (0.53) TDP2ADORA2AADORA1ERCC1ERCC4
SCHEMBL20898117 0.80 TAAR1 (0.53) TDP2ADORA2AADORA1ERCC1ERCC4
SCHEMBL1043172 0.79 ESR2 (0.57) TDP2ADORA2AADORA1ERCC1ERCC4
SCHEMBL2091157 0.79 CYP1A2 (0.54) PGRAHRHSD17B1HSD17B2
SCHEMBL2088470 0.77 ALOX5 (0.52) TDP2PGRESR2
SCHEMBL16545009 0.77 MAOA (0.52) ADORA2AADORA1ERCC1ERCC4PTGS2
SCHEMBL14381080 0.77 AKR1C2 (0.47) ADORA2AADORA1ERCC1ERCC4PTGS2
SCHEMBL16533468 0.77 ADORA2A (0.42) TDP2ADORA2AADORA1ERCC1ERCC4
SCHEMBL95586 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507815-B2 Succinoylamino lactams as inhibitors of a-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-24 US disclosed
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-27 US disclosed
US-7304055-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-7304056-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-20060264417-A1 Succinoylamino lactams as inhibitors of a-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-23 US disclosed
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-16 US disclosed
US-7101870-B2 Succinoylamino lactams as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-05 US disclosed
US-6962913-B2 Benzo-1,4-diazepin-2-ones as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-08 US disclosed
US-20050245501-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-03 US disclosed
US-6794381-B1 BETA -PEPTIDE INHIBITOR PREVENTS NEUROLOGICAL DEPOSITS OF AMYLOID PRECURSOR PROTEIN; ALZHEIMER'S DISEASE AND DOWN'S SYNDROME TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2004-09-21 US disclosed
CN-1311779-A Succinoylamino lactams as inhibitors and as A beta protein production DU PONT PHARM CO (US) 2001-09-05 CN 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-20060264417-A1 Succinoylamino lactams as inhibitors of a-beta protein production BACE1, APH1A, APP TDP2 2306/4885ADORA2A 2948/4885ADORA1 2466/4885
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BACE1, APH1A, APP TDP2 2306/4885ADORA2A 2948/4885ADORA1 2466/4885
US-20050245501-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP TDP2 2306/4885ADORA2A 2948/4885ADORA1 2466/4885
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP TDP2 2306/4885ADORA2A 2948/4885ADORA1 2466/4885

“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.