SCHEMBL2086817

SCHEMBL2086817

NC1=NC(c2cccc(Br)c2)(c2ccc3c(c2)OCO3)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.43
KCNH2 Q12809 2/20 0.43
SLC6A3 Q01959 2/20 0.40
CTSD P07339 3/20 0.40
BACE2 Q9Y5Z0 3/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SNCA P37840 1/20 0.36
SCN9A Q15858 5/20 0.35
BRAF P15056 1/20 0.35
CFTR P13569 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13039878 0.86 BACE1 (0.43) BACE1KCNH2SLC6A3CTSDBACE2
SCHEMBL3549478 0.83 BACE1 (0.49) BACE1KCNH2SLC6A3CTSDBACE2
SCHEMBL3552663 0.82 BACE1 (0.69) BACE1KCNH2CTSDBACE2
SCHEMBL8225744 0.81 BACE1 (0.62) BACE1KCNH2CTSDBACE2
SCHEMBL3559550 0.80 BACE1 (0.48) BACE1KCNH2CTSDBACE2NPC1
SCHEMBL3548927 0.79 BACE1 (0.64) BACE1KCNH2CTSDBACE2
SCHEMBL2084769 0.78 BACE1 (0.67) BACE1KCNH2CTSDBACE2
SCHEMBL2087801 0.77 BACE1 (0.47) BACE1KCNH2CTSDBACE2
SCHEMBL4009065 0.77 BACE1 (0.47) BACE1KCNH2CTSDBACE2
SCHEMBL4001109 0.77 BACE1 (0.47) BACE1KCNH2CTSDBACE2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US claimed
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
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US 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-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-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 EP 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
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 WO disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 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 (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 3126/4885SLC6A3 60/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885KCNH2 2710/4885SLC6A3 60/4885

“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.