SCHEMBL4244455

SCHEMBL4244455

Nc1nc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.64
RAB9A P51151 11/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
PKM P14618 5/20 0.63
LMNA P02545 2/20 0.63
TP53 P04637 2/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.59
HSP90AA1 P07900 1/20 0.59
PAX8 Q06710 1/20 0.59
MAOB P27338 1/20 0.58
ADORA2A P29274 1/20 0.58
CYP3A4 P08684 1/20 0.57
SCD O00767 1/20 0.53
OPRK1 P41145 1/20 0.53
KLF5 Q13887 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL4244453 0.85 NPC1 (0.62) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11706323 0.84 NPC1 (0.83) NPC1RAB9AMEN1KMT2APKM
SCHEMBL27877970 0.83 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM
SCHEMBL5526074 0.82 NPC1 (0.67) NPC1RAB9AMEN1KMT2APKM
SCHEMBL4244194 0.82 GRM5 (0.51) RAB9AMEN1KMT2ALMNATP53
SCHEMBL1201169 0.81 NPC1 (0.41) NPC1RAB9AMEN1KMT2APKM
SCHEMBL27724289 0.80 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM
SCHEMBL4239821 0.80 NPC1 (0.50) NPC1RAB9AKDM4EHSD17B10
SCHEMBL11705400 0.79 NPC1 (0.74) NPC1RAB9AMEN1KMT2APKM
SCHEMBL1202206 0.78 NPC1 (0.56) NPC1RAB9AMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 (3 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-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885MEN1 2918/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885MEN1 2918/4885

“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.