SCHEMBL1201719

SCHEMBL1201719

COc1c(Cl)ccc2cc(C(=O)Nc3nc4c(C(=O)Nc5ncc[nH]5)cccc4[nH]3)ncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
POLB P06746 2/20 0.40
KLF5 Q13887 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGDS O60760 1/20 0.40
PKM P14618 3/20 0.39
HSP90AA1 P07900 2/20 0.39
PAX8 Q06710 1/20 0.39
FGFR3 P22607 1/20 0.39
FOXO1 Q12778 1/20 0.39
MAOB P27338 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
PTGES O14684 3/20 0.39
USP2 O75604 1/20 0.38
DHODH Q02127 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 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
SCHEMBL9611628 0.92 HPGDS (0.40) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1201114 0.87 RAB9A (0.48) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1201596 0.85 RAB9A (0.46) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1202464 0.85 HPGDS (0.51) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1202254 0.84 HPGDS (0.50) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1202361 0.84 RAB9A (0.47) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1201879 0.81 MAOB (0.43) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1201542 0.81 HPGDS (0.47) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1201619 0.79 RAB9A (0.40) NPC1RAB9APOLBKLF5TDP1
SCHEMBL1201666 0.79 HPGDS (0.41) NPC1RAB9APOLBHPGDSPKM

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 2719/4885POLB 972/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP NPC1 190/4885RAB9A 2474/4885POLB 940/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885POLB 972/4885

“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.