SCHEMBL1201439

SCHEMBL1201439

CSCCc1nc(C(=O)Nc2nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]2)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGES O14684 7/20 0.36
MAOB P27338 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 3/20 0.35
HSP90AA1 P07900 2/20 0.35
PAX8 Q06710 1/20 0.35
TNFSF11 O14788 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
PARP1 P09874 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
SCHEMBL12845750 0.91 PTGES (0.38) NPC1RAB9ASMN1; SMN2PTGESMAOB
SCHEMBL12881192 0.89 RIPK1 (0.40) NPC1RAB9ASMN1; SMN2PTGESMAOB
SCHEMBL1201705 0.88 PTGES (0.38) NPC1RAB9ASMN1; SMN2PTGESMAOB
SCHEMBL1201928 0.87 PTGES (0.41) NPC1RAB9ASMN1; SMN2PTGESMAOB
SCHEMBL1201052 0.85 MAOB (0.41) NPC1RAB9ASMN1; SMN2PTGESMAOB
SCHEMBL1201645 0.82 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2PTGESMAOB
SCHEMBL1201599 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAOBADORA2A
SCHEMBL1201879 0.79 MAOB (0.43) NPC1RAB9ASMN1; SMN2MAOBADORA2A
SCHEMBL1201079 0.79 RIPK1 (0.38) NPC1RAB9ASMN1; SMN2MAOBADORA2A
SCHEMBL8258916 0.78 MAOB (0.47) NPC1RAB9ASMN1; SMN2MAOBADORA2A

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 8 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-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-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 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
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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 2719/4885SMN1; SMN2 1971/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP NPC1 190/4885RAB9A 2474/4885SMN1; SMN2 2050/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885SMN1; SMN2 1971/4885

“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.