SCHEMBL1202140

SCHEMBL1202140

O=C(Nc1ncc[nH]1)c1cccc2nc(Nc3cc4ccccc4cn3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
NPC1 O15118 10/20 0.39
RAB9A P51151 10/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
PKM P14618 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HSP90AA1 P07900 1/20 0.37
PAX8 Q06710 1/20 0.37
KDR P35968 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1202178 0.87 NPC1 (0.42) HPGDSNPC1RAB9AMEN1KMT2A
SCHEMBL1201690 0.86 KDR (0.43) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL13572266 0.84 HSP90AA1 (0.37) HPGDSNPC1RAB9AMEN1KMT2A
SCHEMBL1202113 0.83 MAPK9 (0.44) NPC1RAB9ASMN1; SMN2TP53KDR
SCHEMBL13572300 0.83 HPGDS (0.39) HPGDSNPC1RAB9AMEN1KMT2A
SCHEMBL1201780 0.82 KDR (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1201324 0.82 KMT2A (0.43) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1202450 0.82 DDX3X (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1201716 0.81 HPGDS (0.54) HPGDSNPC1RAB9AMEN1KMT2A
SCHEMBL1202104 0.81 HDAC6 (0.45) HPGDSNPC1RAB9AMEN1KMT2A

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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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

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 HPGDS 2231/4885NPC1 188/4885RAB9A 2719/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP HPGDS 2366/4885NPC1 190/4885RAB9A 2474/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HPGDS 2231/4885NPC1 188/4885RAB9A 2719/4885

“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.