SCHEMBL1201649

SCHEMBL1201649

N#Cc1ccc(CNC(=O)c2cccc3nc(NC(=O)c4cc5ccccc5cn4)[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CNR2 P34972 3/20 0.44
GSK3B P49841 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
EGFR P00533 1/20 0.40
AKR1B1 P15121 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
IDO1 P14902 1/20 0.39
USP30 Q70CQ3 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
ROCK2 O75116 1/20 0.37
SCN9A Q15858 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
SCHEMBL1201444 0.90 EGFR (0.50) HDAC3HDAC1HDAC2EGFR
SCHEMBL1202408 0.89 LMNA (0.46) NPC1RAB9ACNR2HDAC3HDAC1
SCHEMBL9611614 0.89 HDAC3 (0.47) HDAC3HDAC1HDAC2EGFRCYSLTR1
SCHEMBL1201894 0.89 HDAC3 (0.46) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL1202045 0.89 SMN1; SMN2 (0.48) NPC1RAB9ACNR2HDAC3HDAC1
SCHEMBL1202275 0.87 MAPT (0.45) NPC1RAB9ACNR2GSK3BHDAC3
SCHEMBL1200874 0.85 KMT2A (0.49) HDAC3HDAC1HDAC2EGFR
SCHEMBL1202281 0.85 NPC1 (0.42) NPC1RAB9ACNR2HDAC3HDAC1
SCHEMBL1202319 0.85 MTOR (0.46) CNR2HDAC3HDAC1HDAC2EGFR
SCHEMBL1202000 0.84 MAPT (0.44) NPC1RAB9ACNR2HDAC3HDAC1

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 10 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

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 NPC1 188/4885RAB9A 2719/4885CNR2 2966/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP NPC1 190/4885RAB9A 2474/4885CNR2 3079/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885CNR2 2966/4885

“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.