SCHEMBL162235

SCHEMBL162235

COC(=O)c1cccc(C(=O)N(C)Cc2nc(C)cs2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GCK P35557 2/20 0.38

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
SCHEMBL4207094 0.89 RAB9A (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3508802 0.88 RAB9A (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL167142 0.87 RAB9A (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL168243 0.87 MEN1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3507645 0.86 MEN1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3508786 0.86 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2711315 0.86 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3510505 0.86 RAB9A (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3647874 0.86 RAB9A (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3351202 0.86 NPC1 (0.48) NPC1RAB9AMEN1KMT2ALMNA

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
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 CN 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
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 CN 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 NPC1 120/4885RAB9A 3788/4885MEN1 3688/4885

“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.