SCHEMBL5022616

SCHEMBL5022616

CCCC(C(=O)NCc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 7/20 0.66
▸ PSEN2 P49810 7/20 0.66
▸ APH1B Q8WW43 7/20 0.66
▸ NCSTN Q92542 7/20 0.66
▸ APH1A Q96BI3 7/20 0.66
▸ PSENEN Q9NZ42 7/20 0.66
▸ GSAP A4D1B5 1/20 0.66
▸ CCKBR P32239 6/20 0.60
▸ NOTCH1 P46531 3/20 0.59
▸ NOTCH3 Q9UM47 2/20 0.59
▸ RBPJ Q06330 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ SCN9A Q15858 1/20 0.54

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
SCHEMBL5017905 0.94 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5016371 0.89 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5026389 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5017891 0.87 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5017836 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5016367 0.84 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5022594 0.83 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5022561 0.82 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5004701 0.82 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5004704 0.82 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 — — EP claimed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 — — US claimed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 — — US claimed
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 — — EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 — — US disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 — — 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-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP PSEN1 4/4885PSEN2 8/4885APH1B 17/4885

“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.

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