SCHEMBL1040407

SCHEMBL1040407

COc1cc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1-n1cnc(C)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.71
PSEN2 P49810 18/20 0.71
APH1B Q8WW43 18/20 0.71
NCSTN Q92542 18/20 0.71
APH1A Q96BI3 18/20 0.71
PSENEN Q9NZ42 18/20 0.71
CYP3A4 P08684 2/20 0.71
AMY1A P0DUB6 1/20 0.52
ALOX5 P09917 1/20 0.51

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
SCHEMBL1039079 0.94 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1040382 0.90 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1041094 0.88 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1036123 0.86 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1037505 0.85 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1039883 0.84 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4090661 0.83 PIK3CA (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1037272 0.83 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1039563 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1038247 0.81 PSEN1 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910740-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-03-22 US disclosed
EP-2155740-B1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-01-26 EP disclosed
US-20080280948-A1 MODULATORS OF AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-13 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-20080280948-A1 MODULATORS OF AMYLOID BETA APP, BACE1, BACE2 PSEN1 7/4885PSEN2 13/4885APH1B 8/4885

“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.