SCHEMBL3289613

SCHEMBL3289613

C=CC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)NC1CN(C(C)C)C2=C(CC=CC2=O)C(c2ccccc2)=N1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 6/20 0.51
▸ RBPJ Q06330 5/20 0.51
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ MMP2 P08253 14/20 0.40
▸ MMP3 P08254 14/20 0.40
▸ MMP7 P09237 13/20 0.40
▸ MMP1 P03956 11/20 0.39
▸ MMP8 P22894 2/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ NOTCH3 Q9UM47 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
SCHEMBL3295050 0.73 NOTCH1 (0.47) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287597 0.71 NOTCH1 (0.67) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3295109 0.70 NOTCH1 (0.79) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL13904300 0.70 NOTCH1 (0.79) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287317 0.69 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL8244069 0.69 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL5839093 0.69 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3293655 0.69 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287486 0.69 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287198 0.69 NOTCH1 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718795-B2 Succinoylamino benzodiazepines as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-05-18 — — US disclosed
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-08-28 — — 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 (1 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-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE NOTCH1 539/4885RBPJ 2293/4885PSEN1 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.

Send feedback