SCHEMBL4241392

SCHEMBL4241392

CS(=O)(=O)CCCN1CCc2nc(NC(=O)c3cccc4[nH]c(N)nc34)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 7/20 0.44
MAPT P10636 7/20 0.44
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
F10 P00742 1/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 2/20 0.40

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
SCHEMBL4241383 0.92 GAA (0.45) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL6102377 0.89 GAA (0.52) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL4243693 0.89 GAA (0.47) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL4244331 0.87 GAA (0.48) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL4242587 0.87 GAA (0.48) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL4235575 0.85 MAPT (0.52) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL4248451 0.85 GAA (0.49) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL4247062 0.85 NPC1 (0.55) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL4244579 0.84 GAA (0.50) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL1202777 0.84 GAA (0.41) GAAKMT2AALDH1A1MAPTKDM4E

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 9 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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 GAA 15/4885KMT2A 4094/4885ALDH1A1 1717/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP GAA 15/4885KMT2A 4094/4885ALDH1A1 1717/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP GAA 15/4885KMT2A 4094/4885ALDH1A1 1717/4885

“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.