SCHEMBL4246142

SCHEMBL4246142

NC(=O)c1nc2c(C(=O)Nc3nc4c(s3)CN(CC3CCCCC3)CC4)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.50
PARP2 Q9UGN5 4/20 0.50
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4384674 0.99 PARP1 (0.51) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4246250 0.96 PARP1 (0.54) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4246145 0.91 MAPT (0.47) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4384691 0.90 MAPT (0.47) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4244267 0.89 PARP1 (0.44) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4246262 0.86 GAA (0.47) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4239423 0.85 PARP1 (0.52) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4248446 0.85 PARP1 (0.55) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4235567 0.83 ALDH1A1 (0.51) PARP1PARP2GAAALDH1A1MAPT
SCHEMBL4242582 0.83 GAA (0.47) PARP1PARP2GAAALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 1741/4885PARP2 2000/4885GAA 15/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PARP1 1741/4885PARP2 2000/4885GAA 15/4885

“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.