SCHEMBL1200979

SCHEMBL1200979

CCN1CCc2nc(NC(=O)c3cccc4nc(NC(=O)c5cc6ccccc6cn5)[nH]c34)sc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.53
▸ ALDH1A1 P00352 8/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 8/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ CYP2C19 P33261 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAB9A P51151 6/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ KDM4E B2RXH2 7/20 0.45

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
SCHEMBL1201627 0.92 MAPT (0.55) GAAALDH1A1POLBMAPTKMT2A
SCHEMBL1201555 0.88 GAA (0.39) GAAALDH1A1POLBMAPTKMT2A
SCHEMBL1201036 0.88 RAB9A (0.39) GAAALDH1A1MAPTKMT2ACYP2C19
SCHEMBL1201423 0.85 GRAMD1A (0.51) GCK
SCHEMBL1201494 0.83 MAPT (0.38) ALDH1A1POLBMAPTKMT2ACYP2C19
SCHEMBL1202481 0.83 GAA (0.46) GAAALDH1A1POLBMAPTKMT2A
SCHEMBL4235712 0.81 GAA (0.61) GAAALDH1A1POLBMAPTKMT2A
SCHEMBL1200693 0.81 GAA (0.44) GAAALDH1A1POLBMAPTKMT2A
SCHEMBL1201675 0.81 GAA (0.44) GAAALDH1A1POLBMAPTKMT2A
SCHEMBL12845749 0.80 GAA (0.44) GAAALDH1A1POLBMAPTKMT2A

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 11 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
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 GAA 15/4885ALDH1A1 1717/4885POLB 972/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP GAA 22/4885ALDH1A1 2426/4885POLB 940/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP GAA 15/4885ALDH1A1 1717/4885POLB 972/4885

“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.

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