SCHEMBL4246145

SCHEMBL4246145

Nc1nc2c(C(=O)Nc3nc4c(s3)CN(CC3CCCCC3)CC4)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 5/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 1/20 0.42
P2RY1 P47900 1/20 0.42
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 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
SCHEMBL4384691 0.99 MAPT (0.47) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4246262 0.96 GAA (0.47) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4246142 0.91 PARP1 (0.50) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4384674 0.90 PARP1 (0.51) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4246250 0.86 PARP1 (0.54) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL6102377 0.85 GAA (0.52) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4248451 0.84 GAA (0.49) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4239713 0.83 MAPT (0.54) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4244331 0.83 GAA (0.48) MAPTALDH1A1GAARAB9AKDM4E
SCHEMBL4235575 0.83 MAPT (0.52) MAPTALDH1A1GAARAB9AKDM4E

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 MAPT 85/4885ALDH1A1 1717/4885GAA 15/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAPT 85/4885ALDH1A1 1717/4885GAA 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.