SCHEMBL4241735

SCHEMBL4241735

CCc1ccc(C#Cc2cccc(C(=O)Nc3nc4c(C(=O)O)cccc4[nH]3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
KLF5 Q13887 1/20 0.44
MAOB P27338 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
RIPK1 Q13546 2/20 0.40
KDM4A O75164 1/20 0.39
FFAR1 O14842 1/20 0.38
DHODH Q02127 5/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PARP1 P09874 2/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL1202645 0.89 MAOB (0.48) NPC1RAB9APKMMAOBADORA2A
SCHEMBL4244210 0.89 MAOB (0.46) NPC1RAB9AKLF5MAOBADORA2A
SCHEMBL4241396 0.88 DHODH (0.44) NPC1RAB9APKMMAOBADORA2A
SCHEMBL1201907 0.87 NPC1 (0.41) NPC1RAB9APKMKLF5MAOB
SCHEMBL4246134 0.87 NPC1 (0.42) NPC1RAB9AMAOBADORA2AADORA2B
SCHEMBL4244175 0.87 MAOB (0.45) NPC1RAB9APKMMAOBADORA2A
SCHEMBL4243775 0.84 DHODH (0.41) NPC1RAB9APKMMAOBADORA2A
SCHEMBL1201054 0.84 RIPK1 (0.48) NPC1RAB9APKMKLF5MAOB
SCHEMBL4239832 0.84 MAOB (0.43) NPC1RAB9APKMKLF5MAOB
SCHEMBL15499192 0.83 MAOB (0.46) NPC1RAB9APKMMAOBADORA2A

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
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 2719/4885PKM 3404/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885PKM 3404/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885PKM 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.