SCHEMBL1201686

SCHEMBL1201686

COc1cc2cnc(C(=O)Nc3nc4cccc(C(=O)Nc5ncc[nH]5)c4[nH]3)cc2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.47
NPC1 O15118 11/20 0.47
PKM P14618 4/20 0.47
HSP90AA1 P07900 2/20 0.47
PAX8 Q06710 1/20 0.47
POLB P06746 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KLF5 Q13887 1/20 0.45
HPGDS O60760 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 1/20 0.43
USP2 O75604 1/20 0.41
FGFR3 P22607 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13572265 0.88 RAB9A (0.44) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202178 0.87 NPC1 (0.42) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202361 0.86 RAB9A (0.47) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201258 0.84 HPGDS (0.42) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201844 0.84 RAB9A (0.62) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201147 0.82 HPGDS (0.38) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201137 0.82 NPC1 (0.38) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1201286 0.82 IRAK4 (0.44) RAB9ANPC1HPGDSSMN1; SMN2MEN1
SCHEMBL1202031 0.81 HPGDS (0.50) RAB9ANPC1PKMHSP90AA1PAX8
SCHEMBL1202202 0.80 HPGDS (0.45) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US claimed
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
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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 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
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 RAB9A 2719/4885NPC1 188/4885PKM 3404/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2474/4885NPC1 190/4885PKM 4098/4885
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.