SCHEMBL8258909

SCHEMBL8258909

CC(C)(C)c1cccnc1C(=O)Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
PTGES O14684 7/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAOB P27338 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
PARP1 P09874 1/20 0.38
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
CASP3 P42574 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
SCHEMBL1201899 0.84 RAB9A (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12894466 0.82 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12846012 0.82 MAOB (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8258916 0.81 MAOB (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1201440 0.80 RAB9A (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12894558 0.80 MAOB (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1202325 0.79 MAOB (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9611635 0.79 RIPK1 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1202042 0.79 MAOB (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9611894 0.79 GSK3B (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885MEN1 2918/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP NPC1 190/4885RAB9A 2474/4885MEN1 3092/4885

“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.