SCHEMBL945229

SCHEMBL945229

COc1cccc(-c2cccc(C34CC(O[Si](C)(C)C(C)(C)C)CC3CSC(NC(=O)c3ccccc3)=N4)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.41
HDAC2 Q92769 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
KCNH2 Q12809 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.36
NLRP3 Q96P20 1/20 0.36
FAAH O00519 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL12851727 1.00 BACE1 (0.41) BACE1HDAC2HSP90AA1HSP90AB1NPC1
SCHEMBL930802 0.90 HDAC2 (0.43) BACE1HDAC2HSP90AA1HSP90AB1NPC1
SCHEMBL932862 0.86 BACE1 (0.40) BACE1HDAC2HSP90AA1HSP90AB1NPC1
SCHEMBL932788 0.86 HDAC2 (0.43) BACE1HDAC2HSP90AA1HSP90AB1NPC1
SCHEMBL934002 0.86 HDAC2 (0.43) BACE1HDAC2HSP90AA1HSP90AB1NPC1
SCHEMBL954161 0.82 BACE1 (0.47) BACE1KCNH2
SCHEMBL18192878 0.80 BACE1 (0.44) BACE1KCNH2
SCHEMBL18192915 0.77 BACE1 (0.40) BACE1KCNH2
SCHEMBL18192903 0.77 BACE1 (0.45) BACE1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18192814 0.73 BACE1 (0.44) BACE1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
EP-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885HDAC2 1981/4885HSP90AA1 3098/4885

“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.