SCHEMBL30309

SCHEMBL30309

C=CCC1(CC=C)Cc2ccc(Br)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
METAP1 P53582 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TDP2 O95551 2/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
S100A4 P26447 1/20 0.35
BACE1 P56817 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
SCHEMBL1465670 0.85 L3MBTL1 (0.39) L3MBTL1TDP1LMNAHTTNPSR1
SCHEMBL7890030 0.81 L3MBTL1 (0.42) L3MBTL1TDP1LMNAHTTNPSR1
SCHEMBL9286065 0.77 LMNA (0.65) L3MBTL1LMNAHTTNPSR1TDP2
SCHEMBL12086637 0.76 L3MBTL1 (0.39) L3MBTL1TDP1LMNAHTTNPSR1
SCHEMBL7879886 0.75 L3MBTL1 (0.35) L3MBTL1TDP1LMNAHTTNPSR1
SCHEMBL12317888 0.74 BACE1 (0.36) L3MBTL1TDP1LMNAHTTNPSR1
SCHEMBL12827802 0.72 BACE1 (0.39) L3MBTL1TDP1LMNAHTTNPSR1
SCHEMBL9948162 0.71 TDP1 (0.46) L3MBTL1TDP1METAP1CA1CA2
SCHEMBL1572850 0.71 TDP1 (0.46) L3MBTL1TDP1METAP1CA1CA2
SCHEMBL30676574 0.71 TDP1 (0.46) L3MBTL1TDP1METAP1CA1CA2

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 22 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
EP-2801570-A1 Inhibitors of beta-secretase Vitae Pharmaceuticals, Inc. (US) 2014-11-12 EP disclosed
EP-2801570-A1 Inhibitors of beta-secretase Vitae Pharmaceuticals, Inc. (US) 2014-11-12 EP disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
EP-2406240-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2012-01-18 EP 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-20140200223-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 L3MBTL1 4257/4885TDP1 582/4885LMNA 521/4885
US-10336717-B2 Inhibitors of beta-secretase BACE1, BACE2, PSEN1 L3MBTL1 4257/4885TDP1 582/4885LMNA 521/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 L3MBTL1 4257/4885TDP1 582/4885LMNA 521/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 L3MBTL1 4257/4885TDP1 582/4885LMNA 521/4885

“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.