SCHEMBL933402

SCHEMBL933402

C=CCC(O[Si](C)(C)C(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
CA2 P00918 1/20 0.31
KRAS P01116 1/20 0.30
SOS1 Q07889 1/20 0.30
CTSA P10619 1/20 0.30
BCDIN3D Q7Z5W3 1/20 0.30
OGG1 O15527 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
SCHEMBL932878 0.88 APLNR (0.33) APLNRMEN1HTTKMT2ASLC6A2
SCHEMBL933398 0.87 APLNR (0.39) APLNRSLC6A2SLC6A4IDO1TDO2
SCHEMBL6525291 0.83 CYP2C19 (0.39) MEN1KMT2ACA2
SCHEMBL29089769 0.78 CTSA (0.46) APLNRHTTIDO1TDO2CTSA
SCHEMBL20854984 0.77 MAPT (0.35) APLNRIDO1CA2
SCHEMBL31257389 0.77 MAPT (0.35) APLNRIDO1CA2
SCHEMBL24010070 0.76 APLNR (0.41) APLNRSLC6A4IDO1TDO2KRAS
SCHEMBL6160560 0.76 APLNR (0.41) APLNRSLC6A4IDO1TDO2KRAS
SCHEMBL30161153 0.76 APLNR (0.41) APLNRSLC6A4IDO1TDO2KRAS
SCHEMBL20854970 0.75 AOC3 (0.35) APLNRSLC6A2CA2

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 10 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
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US 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
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 (2 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP APLNR 2742/4885MEN1 2551/4885HTT 1051/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP APLNR 2742/4885MEN1 2551/4885HTT 1051/4885

“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.