SCHEMBL1200872

SCHEMBL1200872

CCCCNC(=O)c1cccc2[nH]c(NC(=O)c3cc4ccccc4cn3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
DRD3 P35462 8/20 0.47
DRD2 P14416 2/20 0.47
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
KCNH2 Q12809 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC2 Q92769 1/20 0.41
HTR1A P08908 5/20 0.41
HTR2A P28223 5/20 0.41
HTR2C P28335 3/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1202333 0.88 PTGES (0.41) RIPK1DRD3DRD2HDAC3HDAC1
SCHEMBL8258975 0.85 MAOB (0.46) HDAC3HDAC1MAOBADORA2AADORA2B
SCHEMBL1201807 0.84 LMNA (0.48) TSHRHTTL3MBTL1
SCHEMBL1201842 0.83 MAOB (0.41) RIPK1HTTMAOBADORA2AADORA2B
SCHEMBL1202237 0.83 PSMD14 (0.46) DRD3HTTHDAC3HDAC1KCNH2
SCHEMBL1202261 0.83 MAOB (0.51) HPGDMAOBADORA2AADORA2BADORA1
SCHEMBL1201255 0.82 CHRM1 (0.48) DRD3KCNH2MAOBADORA2AADORA2B
SCHEMBL1201895 0.82 PDE10A (0.43) MAOBADORA2AADORA2BADORA1KMT2A
SCHEMBL1202315 0.82 RIPK1 (0.52) RIPK1HPGDMAOBADORA2AADORA2B
SCHEMBL13639503 0.82 PARP1 (0.49) MAOBADORA2AADORA2BADORA1

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 RIPK1 3079/4885DRD3 3392/4885DRD2 4358/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP RIPK1 2536/4885DRD3 3035/4885DRD2 4148/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RIPK1 3079/4885DRD3 3392/4885DRD2 4358/4885

“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.