SCHEMBL3559550

SCHEMBL3559550

COc1cccc(-c2cccc(C3(c4ccc5c(c4)OCO5)N=C(N)c4ccccc43)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.48
KCNH2 Q12809 10/20 0.48
CTSD P07339 2/20 0.45
BACE2 Q9Y5Z0 2/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL3554052 0.94 BACE1 (0.48) BACE1KCNH2CTSDBACE2
SCHEMBL3544331 0.92 BACE1 (0.51) BACE1KCNH2CTSDBACE2
Trifluoroacetic Acid SCHEMBL2084782 0.91 BACE1 (0.42) BACE1KCNH2CTSDBACE2
SCHEMBL3552330 0.88 BACE1 (0.42) BACE1KCNH2CTSDBACE2NPC1
SCHEMBL3555720 0.86 BACE1 (0.51) BACE1KCNH2CTSDBACE2
Trifluoroacetic Acid SCHEMBL2085061 0.86 BACE1 (0.43) BACE1KCNH2CTSDBACE2MAPT
SCHEMBL3550485 0.85 BACE1 (0.58) BACE1KCNH2CTSDBACE2
Trifluoroacetic Acid SCHEMBL2085456 0.84 BACE1 (0.45) BACE1KCNH2CTSDBACE2
SCHEMBL3552663 0.84 BACE1 (0.69) BACE1KCNH2CTSDBACE2
SCHEMBL8225744 0.83 BACE1 (0.62) BACE1KCNH2CTSDBACE2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US claimed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 EP claimed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 WO claimed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 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 (2 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-20110059992-A1 New Compounds MAPT, PSEN2, PSEN1 BACE1 5/4885KCNH2 3126/4885CTSD 1916/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885KCNH2 2710/4885CTSD 1715/4885

“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.