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SCHEMBL2086590

SCHEMBL2086590

COc1ccc(C2(c3ccc(O)cc3)N=C(NC(=O)OC(C)(C)C)c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BACE1 P56817 3/20 0.37
▸ CTSD P07339 1/20 0.37
▸ CTSE P14091 1/20 0.37
▸ PDK2 Q15119 1/20 0.35
▸ HSP90AA1 P07900 3/20 0.34
▸ HSP90AB1 P08238 3/20 0.34
▸ DEGS1 O15121 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL2084763 0.94 MIF (0.37) NPC1RAB9AMAPTKMT2ABACE1
SCHEMBL2086227 0.88 DHFR (0.34) NPC1RAB9AMAPTMAPK1KMT2A
SCHEMBL2085194 0.85 HSP90AA1 (0.36) MAPTMAPK1KMT2ABACE1CTSD
SCHEMBL2085499 0.84 BACE1 (0.36) BACE1PDK2HSP90AA1HSP90AB1RAF1
SCHEMBL2086235 0.77 HSP90AA1 (0.38) MAPTMAPK1BACE1CTSDCTSE
SCHEMBL2086845 0.77 PDK2 (0.35) BACE1CTSDPDK2HSP90AA1HSP90AB1
SCHEMBL649109 0.66 PDE4D (0.53) NPC1RAB9AMAPTMAPK1KMT2A
SCHEMBL29462973 0.66 PDE4D (0.53) NPC1RAB9AMAPTMAPK1KMT2A
SCHEMBL1342005 0.66 SMN1; SMN2 (0.61) NPC1RAB9AMAPTKMT2APDK2
SCHEMBL3247377 0.65 SYK (0.37) RAB9ABACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 27/4885RAB9A 629/4885MAPT 1/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT NPC1 27/4885RAB9A 213/4885MAPT 3/4885

“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.