SCHEMBL1202256

SCHEMBL1202256

Cc1cc([N+](=O)[O-])c2[nH]c(=O)oc(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.51
GRIN3B O60391 3/20 0.51
GRIN1 Q05586 3/20 0.51
GRIN2A Q12879 3/20 0.51
GRIN2B Q13224 3/20 0.51
GRIN2C Q14957 3/20 0.51
GRIN3A Q8TCU5 3/20 0.51
GPR35 Q9HC97 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 4/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL11760932 0.83 ALDH1A1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5280067 0.77 ABCB1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4200416 0.76 SMN1; SMN2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6802027 0.75 PARP1 (0.58) KDM4ETSHRCYP3A4MAPTNPC1
SCHEMBL21751078 0.74 ALDH1A1 (0.47) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL17767227 0.74 F2 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6537634 0.71 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31433789 0.70 F7 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2652841 0.70 ABCB1 (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3681753 0.68 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 13 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
CN-101142194-B Benzazole derivatives, compositions, and methods of use as b-secretase inhibitors TRANSTECH PHARMA INC 2012-10-10 CN 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-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
CN-101142194-A Benzazole derivatives, compositions, and methods of use as b-secretase inhibitors TRANSTECH PHARMA INC (US) 2008-03-12 CN 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 (4 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 GRIN2D 2171/4885GRIN3B 725/4885GRIN1 1312/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP GRIN2D 2101/4885GRIN3B 672/4885GRIN1 1292/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP GRIN2D 2171/4885GRIN3B 725/4885GRIN1 1312/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP GRIN2D 2171/4885GRIN3B 725/4885GRIN1 1312/4885

“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.