SCHEMBL4243716

SCHEMBL4243716

COc1ccc(C(=O)Nc2nc3cccc(C(=O)O)c3[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.65
NPC1 O15118 11/20 0.65
PKM P14618 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
ESR1 P03372 1/20 0.54
KLF5 Q13887 1/20 0.50
RXFP1 Q9HBX9 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
COMT P21964 1/20 0.47
TP53 P04637 1/20 0.47
MTOR P42345 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL4235245 0.86 NPC1 (0.63) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL4243662 0.85 NPC1 (0.67) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL4243659 0.85 PPARG (0.53) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL4235191 0.84 NPC1 (0.63) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL4235573 0.84 NPC1 (0.63) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL1201794 0.84 RAB9A (0.60) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL4241952 0.84 NPC1 (0.48) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL4236182 0.84 MTOR (0.51) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL4239330 0.83 RAB9A (0.55) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL11839156 0.81 LMNA (0.49) RAB9ANPC1PKMMEN1KMT2A

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 12 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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 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
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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 RAB9A 2719/4885NPC1 188/4885PKM 3404/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RAB9A 2719/4885NPC1 188/4885PKM 3404/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885NPC1 188/4885PKM 3404/4885

“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.