SCHEMBL6004975

SCHEMBL6004975

CN1C(=O)[C@@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)c2ccc(F)cc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.67
PSEN2 P49810 11/20 0.67
APH1B Q8WW43 11/20 0.67
NCSTN Q92542 11/20 0.67
APH1A Q96BI3 11/20 0.67
PSENEN Q9NZ42 11/20 0.67
SCN9A Q15858 1/20 0.62
NOTCH1 P46531 2/20 0.62
NOTCH3 Q9UM47 2/20 0.62
CCKBR P32239 3/20 0.62
KCNH2 Q12809 1/20 0.60
GSAP A4D1B5 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
SCHEMBL6005868 1.00 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7097812 0.91 CCKBR (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003731 0.89 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006636 0.88 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003779 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006021 0.88 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005703 0.88 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7098528 0.88 KCNH2 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003719 0.88 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7095063 0.87 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A

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-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP PSEN1 2/4885PSEN2 9/4885APH1B 56/4885

“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.