SCHEMBL1200840

SCHEMBL1200840

NC(=NCCCCO)NC(=O)c1cccc2[nH]c(NC(=O)Nc3cc4ccccc4cn3)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.45
SCN5A Q14524 4/20 0.41
SCN2A Q99250 4/20 0.41
HRH2 P25021 4/20 0.40
HRH1 P35367 1/20 0.40
CHEK1 O14757 1/20 0.38
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SCNN1A P37088 2/20 0.35
PARP2 Q9UGN5 3/20 0.34
MAP3K7 O43318 1/20 0.34
MAP3K6 O95382 1/20 0.34
MAP3K5 Q99683 1/20 0.34
ROCK2 O75116 1/20 0.34
CDK12 Q9NYV4 2/20 0.33
DHODH Q02127 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL1200836 0.98 PARP1 (0.45) PARP1SCN5ASCN2AHRH2HRH1
SCHEMBL1200653 0.90 PARP1 (0.46) PARP1SCN5ASCN2AHRH2HRH1
SCHEMBL1200838 0.83 PARP1 (0.40) PARP1CHEK1MAP3K7MAP3K6MAP3K5
SCHEMBL1200833 0.82 PARP1 (0.41) PARP1CHEK1MAP3K7MAP3K6MAP3K5
SCHEMBL1202560 0.78 CHEK1 (0.49) PARP1CHEK1MAP3K7MAP3K6MAP3K5
SCHEMBL1200650 0.76 PARP1 (0.41) PARP1CHEK1MAP3K7MAP3K6MAP3K5
SCHEMBL1201974 0.75 RIPK1 (0.51) PARP1CHEK1MAP3K7MAP3K6MAP3K5
SCHEMBL1201924 0.75 CHEK1 (0.43) PARP1CHEK1MAP3K7MAP3K6MAP3K5
SCHEMBL8258975 0.69 MAOB (0.46) PARP1PARP2ROCK2CDK12
SCHEMBL13639503 0.68 PARP1 (0.49) PARP1PARP2CDK12DHODH

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 8 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-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 PARP1 1741/4885SCN5A 1490/4885SCN2A 2159/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PARP1 1611/4885SCN5A 1755/4885SCN2A 2220/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PARP1 1741/4885SCN5A 1490/4885SCN2A 2159/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885SCN5A 1490/4885SCN2A 2159/4885

“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.