SCHEMBL31073

SCHEMBL31073

C=C1Cc2ccc(Br)cc2C1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.79
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
S100A4 P26447 1/20 0.47
TDP2 O95551 2/20 0.43
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42
PTPRC P08575 1/20 0.41
CHEK2 O96017 1/20 0.41
ROS1 P08922 1/20 0.41
MARK3 P27448 1/20 0.41
LTK P29376 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
AURKB Q96GD4 1/20 0.41
PBK Q96KB5 1/20 0.41
STK17A Q9UEE5 1/20 0.41

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
SCHEMBL10057541 0.84 TDP1 (0.63) METAP1TDP1L3MBTL1S100A4TDP2
SCHEMBL14059047 0.83 TDP1 (0.64) METAP1TDP1L3MBTL1S100A4TDP2
SCHEMBL8870661 0.81 METAP1 (0.62) METAP1
SCHEMBL14059697 0.80 METAP1 (0.57) METAP1TDP1L3MBTL1S100A4TDP2
SCHEMBL8206319 0.80 TDP1 (0.55) METAP1TDP1L3MBTL1S100A4TDP2
SCHEMBL27761880 0.78 METAP1 (0.65) METAP1TDP1L3MBTL1S100A4TDP2
SCHEMBL12746548 0.77 METAP1 (1.00) METAP1PARP1PARP10CA1CA2
SCHEMBL25920001 0.77 TDP1 (0.51) METAP1TDP1L3MBTL1S100A4TDP2
SCHEMBL394145 0.76 TDP1 (0.80) METAP1TDP1L3MBTL1S100A4PTPRC
SCHEMBL2370367 0.75 METAP1 (0.50) METAP1TDP1L3MBTL1S100A4TDP2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9045500-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
US-9045500-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
US-20130053377-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
EP-2539322-A1 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2013-01-02 EP disclosed
EP-2406240-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2012-01-18 EP disclosed
WO-2011106414-A1 INHIBITORS OF BETA-SECRETASE DILLARD LAWRENCE W (US) 2011-09-01 WO disclosed
WO-2011106414-A1 INHIBITORS OF BETA-SECRETASE DILLARD LAWRENCE W (US) 2011-09-01 WO disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 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 (4 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-10336717-B2 Inhibitors of beta-secretase BACE1, BACE2, PSEN1 METAP1 130/4885TDP1 582/4885L3MBTL1 4257/4885
US-20130053377-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 METAP1 76/4885TDP1 477/4885L3MBTL1 3754/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 METAP1 130/4885TDP1 582/4885L3MBTL1 4257/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 METAP1 130/4885TDP1 582/4885L3MBTL1 4257/4885

“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.