SCHEMBL1201374

SCHEMBL1201374

[c]1cc(OCCC2CCCC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.50
HPGD P15428 8/20 0.39
IDO1 P14902 2/20 0.39
MCHR1 Q99705 1/20 0.37
TGFBR1 P36897 1/20 0.37
LNPEP Q9UIQ6 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GRM2 Q14416 1/20 0.36
MAOB P27338 1/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL1201875 0.75 NFE2L2 (0.50) NFE2L2HPGDIDO1MCHR1TGFBR1
SCHEMBL3048497 0.73 APP (0.40)
SCHEMBL4364917 0.71 NFE2L2 (0.62) NFE2L2HPGDMCHR1HRH3GRM2
SCHEMBL28289262 0.71 NFE2L2 (0.51) NFE2L2HPGDIDO1MCHR1LNPEP
SCHEMBL9480424 0.70 NR5A1 (0.44)
SCHEMBL3180538 0.70 NFE2L2 (0.65) NFE2L2HPGDMCHR1HRH3GRM2
SCHEMBL13103169 0.69 NFE2L2 (0.69) NFE2L2HPGDIDO1HRH3
SCHEMBL1202537 0.69 NFE2L2 (0.46) NFE2L2HPGDIDO1MCHR1TGFBR1
SCHEMBL2066513 0.69
SCHEMBL14549598 0.68 NFE2L2 (0.96) NFE2L2HPGDMCHR1HRH3GRM2

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-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
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 (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 NFE2L2 3216/4885HPGD 1702/4885IDO1 1844/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP NFE2L2 3845/4885HPGD 2266/4885IDO1 2021/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NFE2L2 3216/4885HPGD 1702/4885IDO1 1844/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NFE2L2 3216/4885HPGD 1702/4885IDO1 1844/4885

“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.