SCHEMBL1202020

SCHEMBL1202020

COc1ccccc1C#Cc1cccc(C(=O)Nc2nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.48
NPC1 O15118 10/20 0.48
PKM P14618 4/20 0.48
HSP90AA1 P07900 2/20 0.48
PAX8 Q06710 1/20 0.48
MAOB P27338 2/20 0.47
ADORA2A P29274 2/20 0.47
POLB P06746 1/20 0.42
KLF5 Q13887 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
DHODH Q02127 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
FGFR3 P22607 1/20 0.38
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL1200904 0.88 NPC1 (0.45) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL4244672 0.87 MAOB (0.55) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202283 0.87 RAB9A (0.42) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1200861 0.87 RAB9A (0.41) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201956 0.86 MAOB (0.42) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202380 0.85 MAOB (0.38) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1200855 0.84 VCP (0.36) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202776 0.84 NPC1 (0.39) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202055 0.84 RAB9A (0.50) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202227 0.84 PTGES (0.37) RAB9ANPC1PKMHSP90AA1PAX8

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.