SCHEMBL4189601

SCHEMBL4189601

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)N[C@H]1N=C(c2ccc(OC)cc2)c2ccccc2N(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 6/20 0.57
RBPJ Q06330 2/20 0.57
NOTCH3 Q9UM47 4/20 0.56
CCKBR P32239 5/20 0.55
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
HDAC3 O15379 5/20 0.50
HDAC4 P56524 5/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50

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
SCHEMBL4189269 1.00 NOTCH1 (0.57) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL4189272 1.00 NOTCH1 (0.57) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL3487863 0.92 NOTCH1 (0.62) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL13434946 0.92 NOTCH1 (0.62) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL7593327 0.91 NOTCH1 (0.52) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL4186560 0.91 NOTCH1 (0.52) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL4186558 0.91 NOTCH1 (0.52) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL4984439 0.91 NOTCH1 (0.60) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL4191513 0.91 NOTCH1 (0.60) NOTCH1RBPJNOTCH3CCKBRPSEN1
SCHEMBL4191510 0.91 NOTCH1 (0.60) NOTCH1RBPJNOTCH3CCKBRPSEN1

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 1 patent. 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

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-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A NOTCH1 575/4885RBPJ 2821/4885NOTCH3 1575/4885

“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.