SCHEMBL167142

SCHEMBL167142

COC(=O)c1cc(C)cc(C(=O)N(C)Cc2nc(C)cs2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SLC7A5 Q01650 1/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 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
SCHEMBL3507212 0.92 RAB9A (0.43) RAB9ANPC1SLC7A5ALDH1A1KDM4E
SCHEMBL3510505 0.92 RAB9A (0.45) RAB9ANPC1SLC7A5ALDH1A1KDM4E
SCHEMBL3507304 0.91 RAB9A (0.44) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL3344973 0.91 RAB9A (0.44) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL3510927 0.89 RAB9A (0.43) RAB9ANPC1SLC7A5ALDH1A1KDM4E
SCHEMBL3511816 0.89 RAB9A (0.43) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL3508736 0.89 RAB9A (0.43) RAB9ANPC1SLC7A5ALDH1A1KDM4E
SCHEMBL3510780 0.89 RAB9A (0.43) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL3509328 0.89 RAB9A (0.45) RAB9ANPC1SLC7A5ALDH1A1KDM4E
SCHEMBL3510598 0.88 RAB9A (0.42) RAB9ANPC1SLC7A5ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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 (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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 RAB9A 3788/4885NPC1 120/4885SLC7A5 2408/4885

“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.