SCHEMBL4241698

SCHEMBL4241698

NCc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)O)cccc4[nH]3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.55
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CNR2 P34972 1/20 0.42
DHODH Q02127 7/20 0.42
PARP1 P09874 5/20 0.41
KDM4A O75164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4239215 0.89 CFD (0.42) CFDMAOBADORA2AADORA2BADORA1
SCHEMBL1202075 0.87 CFD (0.48) CFDMAOBADORA2AADORA2BADORA1
SCHEMBL4242624 0.87 DHODH (0.52) MAOBADORA2AADORA2BADORA1CNR2
SCHEMBL4235195 0.83 IRAK4 (0.47) MAOBADORA2AADORA2BADORA1CNR2
SCHEMBL4239506 0.83 PRKDC (0.43) MAOBADORA2AADORA2BADORA1CNR2
SCHEMBL8260877 0.82 MAOB (0.49) CFDMAOBADORA2AADORA2BADORA1
SCHEMBL4235027 0.78 MAOB (0.43) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL8261489 0.78 IRAK4 (0.45) CFDMAOBADORA2AADORA2BADORA1
SCHEMBL4239910 0.78 MAOB (0.47) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL1201848 0.77 CFD (0.37) CFDMAOBADORA2AADORA2BADORA1

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 7 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-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 (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 CFD 3944/4885MAOB 269/4885ADORA2A 3841/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CFD 3944/4885MAOB 269/4885ADORA2A 3841/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CFD 3944/4885MAOB 269/4885ADORA2A 3841/4885

“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.