SCHEMBL5839093

SCHEMBL5839093

C=CC[C@@H](C(N)=O)[C@H](CC(C)C)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 14/20 0.83
RBPJ Q06330 4/20 0.83
PSEN1 P49768 1/20 0.79
PSEN2 P49810 1/20 0.79
APH1B Q8WW43 1/20 0.79
NCSTN Q92542 1/20 0.79
APH1A Q96BI3 1/20 0.79
PSENEN Q9NZ42 1/20 0.79
NOTCH3 Q9UM47 10/20 0.72
CCKBR P32239 2/20 0.64
NOTCH2 Q04721 1/20 0.60
NOTCH4 Q99466 1/20 0.60
KCNH2 Q12809 1/20 0.59

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
SCHEMBL8244069 1.00 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3293655 1.00 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287317 1.00 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287486 1.00 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287198 1.00 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3289695 0.94 NOTCH1 (0.74) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287168 0.94 NOTCH1 (0.73) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL4110386 0.94 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3286032 0.94 NOTCH1 (0.73) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3290462 0.94 NOTCH1 (0.73) NOTCH1RBPJPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878363-B2 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-04-12 US claimed
US-7153491-B2 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-12-26 US disclosed
EP-1589342-A2 Use of radioligands to screen inhibitors of amyloid-beta peptide production Bristol-Myers Squibb Pharma Company (US) 2005-10-26 EP disclosed
EP-1129355-B1 USE OF RADIOLIGANDS TO SCREEN INHIBITORS OF AMYLOID-BETA PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-07-20 EP disclosed
US-20050129612-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging ZACZEK ROBERT (US) 2005-06-16 US disclosed
US-6878363-B2 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-04-12 US disclosed
US-20050019255-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging ZACZEK ROBERT (US) 2005-01-27 US disclosed
US-6737038-B1 CONTACTING POTENTIAL INHIBITOR AND TAGGED INHIBITOR OF BETA-AMYLOID PRODUCTION WITH MACROMOLECULE CONTAINING BINDING SITE SPECIFIC FOR TAGGED INHIBITOR, SEPARATING BOUND INHIBITOR, DETERMINING INHIBITORY CONCENTRATION BRISTOL-MYERS SQUIBB COMPANY 2004-05-18 US disclosed
US-20020159947-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging LANTHEUS MEDICAL IMAGING, INC. 2002-10-31 US disclosed
US-6331408-B1 CONTACTING A POTENTIAL INHIBITOR OF BETA-AMYLOID PRODUCTION AND TAGGED INHIBITOR OF BETA-AMYLOID PRODUCTION WITH AT MACROMOLECULE INVOLVED IN PROCESSING OF AMYLOID PRECURSOR PROTEIN; SEPARATING TAGGED INHIBITOR, DETERMINING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 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 (3 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-20020159947-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging APP, BACE1, BACE2 NOTCH1 79/4885RBPJ 3612/4885PSEN1 5/4885
US-20050019255-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging APP, BACE1, BACE2 NOTCH1 100/4885RBPJ 3587/4885PSEN1 4/4885
US-20050129612-A1 Use of small molecule radioligands to discover inhibitors of amyloid-beta peptide production and for diagnostic imaging APP, BACE1, BACE2 NOTCH1 63/4885RBPJ 3433/4885PSEN1 5/4885

“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.