SCHEMBL4247671

SCHEMBL4247671

NC(=O)c1nc2c(C(=O)NCCc3ccc(Oc4ccccc4)cc3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.53
PDE10A Q9Y233 4/20 0.51
PARP1 P09874 3/20 0.48
DHODH Q02127 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
PLAAT3 P53816 2/20 0.44
PLAAT5 Q96KN8 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
PLAAT4 Q9UL19 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 3/20 0.43
LTA4H P09960 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL5333943 0.91 PARP1 (0.56) PDE10APARP1GSK3B
SCHEMBL4247673 0.88 CHEK2 (0.49) CHEK2PDE10APARP1DHODHABCG2
SCHEMBL4239192 0.82 CHEK2 (0.57) CHEK2PARP1DHODHMEN1POLB
SCHEMBL4243732 0.78 HTT (0.56) PARP1
SCHEMBL4246148 0.78 CHEK2 (0.53) CHEK2DHODHPOLBGSK3B
SCHEMBL1201895 0.77 PDE10A (0.43) CHEK2PDE10ADHODHABCG2KMT2A
SCHEMBL4246128 0.77 PDE10A (0.51) PDE10APARP1
SCHEMBL4239153 0.76 PARP1 (0.53) PARP1
SCHEMBL4240843 0.76 TDP1 (0.53) CHEK2PARP1DHODHMEN1KMT2A
SCHEMBL4246220 0.76 PARP1 (0.48) PARP1

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 6 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-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 CHEK2 3480/4885PDE10A 2048/4885PARP1 1741/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CHEK2 3480/4885PDE10A 2048/4885PARP1 1741/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CHEK2 3480/4885PDE10A 2048/4885PARP1 1741/4885

“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.