SCHEMBL4246134

SCHEMBL4246134

CN(C)c1ccc(C#Cc2cccc(C(=O)Nc3nc4c(C(=O)O)cccc4[nH]3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
MCL1 Q07820 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
PARP1 P09874 4/20 0.41
MAOB P27338 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4A O75164 1/20 0.39

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) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL4244210 0.89 MAOB (0.46) NPC1RAB9ATDP1PARP1MAOB
SCHEMBL4241396 0.88 DHODH (0.44) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL1201853 0.87 PARP1 (0.39) NPC1RAB9ALMNASMN1; SMN2TDP1
SCHEMBL4241735 0.87 NPC1 (0.44) NPC1RAB9APARP1MAOBADORA2A
SCHEMBL4244175 0.87 MAOB (0.45) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL4243775 0.84 DHODH (0.41) NPC1RAB9AALDH1A1PARP1MAOB
SCHEMBL4244238 0.82 MAOB (0.45) NPC1RAB9ASMN1; SMN2PARP1MAOB
SCHEMBL4243760 0.82 DHODH (0.43) PARP1MAOBADORA2AADORA2BADORA1
SCHEMBL4239400 0.82 DHODH (0.45) NPC1RAB9ALMNAGAAMAOB

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
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
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 2719/4885LMNA 679/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885LMNA 679/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885LMNA 679/4885

“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.