SCHEMBL7956723

SCHEMBL7956723

O=C1NC(=S)NC12CC1(CCCCC1)Oc1ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.37
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
CTSD P07339 1/20 0.32
MAPT P10636 2/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
ALPL P05186 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALPI P09923 1/20 0.31
GAA P10253 1/20 0.31
ALPG P10696 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR9 Q9NR96 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7957156 1.00 BACE1 (0.37) BACE1KDM4EHTTATMCTSD
SCHEMBL7948007 0.99 BACE1 (0.37) BACE1KDM4EHTTATMCTSD
SCHEMBL7963121 0.90 BACE1 (0.36) BACE1CTSDMAPTAKR1B10AKR1A1
SCHEMBL7947812 0.90 BACE1 (0.36) BACE1HTTCTSDMAPTAKR1B10
SCHEMBL7948846 0.88 AKR1B1 (0.43) MAPTAKR1B10AKR1A1AKR1B1
SCHEMBL7957216 0.88 AKR1B1 (0.43) MAPTAKR1B10AKR1A1AKR1B1
SCHEMBL7949179 0.88 BACE1 (0.34) BACE1MAPTAKR1B10AKR1A1AKR1B1
SCHEMBL7963773 0.87 AKR1B1 (0.44) MAPTAKR1B10AKR1A1AKR1B1
SCHEMBL7948410 0.87 BACE1 (0.41) BACE1CTSDAKR1B1LMNA
SCHEMBL7958771 0.85 ATM (0.40) BACE1ATMCTSDAKR1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 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 (1 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP BACE1 1/4885KDM4E 3004/4885HTT 808/4885

“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.