SCHEMBL27010

SCHEMBL27010

BrCCCc1ccccc1CBr

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TAAR1 Q96RJ0 4/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
MPO P05164 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2A P28223 1/20 0.31
SIRT2 Q8IXJ6 3/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL4403272 0.92 TDP1 (0.43) TDP1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL31001652 0.92 TDP1 (0.43) TDP1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL28791116 0.87 TDP1 (0.46) TDP1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL27147 0.84 TDP1 (0.48) TDP1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL32679673 0.84 TDP1 (0.48) TDP1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL9670333 0.84 TDP1 (0.42) TDP1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL15960323 0.84 TRPA1 (0.43) TDP1TRPA1ALDH1A1TSHRTAAR1
SCHEMBL2177804 0.82 LIPG (0.42) TDP1TAAR1CYP4F2CYP4A11LIPG
SCHEMBL9860715 0.82 LIPG (0.42) TDP1TAAR1CYP4F2CYP4A11LIPG
SCHEMBL7601329 0.81 ALDH1A1 (0.37) TDP1ALDH1A1TAAR1CYP4F2CYP4A11

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 25 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-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
EP-0242709-A2 Antagonists of specific excitatory amino acid neurotransmitter receptors NOVA PHARMACEUTICAL CORPORATION (US) 1987-10-28 EP disclosed
WO-1987006131-A1 ANTAGONISTS OF SPECIFIC EXCITATORY AMINO ACID NEUROTRANSMITTER RECEPTORS RZESZOTARSKI JANUSZ WACLAW (US) 1987-10-22 WO disclosed
US-4657899-A ANALGESICS, COGNITION ACTIVATORS NOVA PHARMACEUTICAL CORPORATION (US) 1987-04-14 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 (3 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 TDP1 582/4885TRPA1 4025/4885ALDH1A1 2962/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 TDP1 582/4885TRPA1 4025/4885ALDH1A1 2962/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 TDP1 582/4885TRPA1 4025/4885ALDH1A1 2962/4885

“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.