SCHEMBL4244331

SCHEMBL4244331

CC(C)CCN1CCc2nc(NC(=O)c3cccc4[nH]c(N)nc34)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
ALDH1A1 P00352 7/20 0.46
POLB P06746 1/20 0.46
GRM5 P41594 1/20 0.46
PARP1 P09874 2/20 0.46
MAPT P10636 6/20 0.44
RAB9A P51151 6/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4248451 0.92 GAA (0.49) GAAALDH1A1POLBGRM5PARP1
SCHEMBL6102377 0.91 GAA (0.52) GAAALDH1A1POLBPARP1MAPT
SCHEMBL4244325 0.90 PARP1 (0.54) GAAALDH1A1POLBGRM5PARP1
SCHEMBL4242587 0.89 GAA (0.48) GAAALDH1A1POLBPARP1MAPT
SCHEMBL4241392 0.87 GAA (0.47) GAAALDH1A1POLBPARP1MAPT
SCHEMBL4243693 0.87 GAA (0.47) GAAALDH1A1POLBPARP1MAPT
SCHEMBL4244579 0.87 GAA (0.50) GAAALDH1A1POLBPARP1MAPT
SCHEMBL4235575 0.87 MAPT (0.52) GAAALDH1A1POLBPARP1MAPT
SCHEMBL4247062 0.86 NPC1 (0.55) ALDH1A1PARP1MAPTRAB9AKMT2A
SCHEMBL4246262 0.85 GAA (0.47) GAAALDH1A1POLBPARP1MAPT

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 GAA 15/4885ALDH1A1 1717/4885POLB 972/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP GAA 15/4885ALDH1A1 1717/4885POLB 972/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP GAA 15/4885ALDH1A1 1717/4885POLB 972/4885

“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.