SCHEMBL1967590

SCHEMBL1967590

COc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc(Oc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
PSEN1 P49768 18/20 0.52
PSEN2 P49810 18/20 0.52
APH1B Q8WW43 18/20 0.52
NCSTN Q92542 18/20 0.52
APH1A Q96BI3 18/20 0.52
PSENEN Q9NZ42 18/20 0.52
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL14997802 0.88 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1967305 0.88 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1967006 0.87 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1965749 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1966952 0.85 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1965791 0.84 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1968448 0.83 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1967752 0.82 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1966257 0.81 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1967711 0.81 PSEN1 (0.53) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389717-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US claimed
US-20120190682-A1 MODULATORS FOR AMYLOID BETA GOETSCHI ERWIN (CH) 2012-07-26 US claimed
EP-2334665-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US claimed
EP-2334665-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-07-10 EP disclosed
US-20130143883-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-8389717-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389717-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20120190682-A1 MODULATORS FOR AMYLOID BETA GOETSCHI ERWIN (CH) 2012-07-26 US disclosed
US-20120190682-A1 MODULATORS FOR AMYLOID BETA GOETSCHI ERWIN (CH) 2012-07-26 US disclosed
EP-2334665-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US disclosed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US disclosed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US disclosed
WO-2010040661-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2010-04-15 WO disclosed
WO-2010040661-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2010-04-15 WO 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 (3 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-20130143883-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB MAPT 55/4885GAA 1082/4885PSEN1 5/4885
US-20120190682-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB MAPT 55/4885GAA 1082/4885PSEN1 5/4885
US-20100093731-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB MAPT 55/4885GAA 1082/4885PSEN1 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.