SCHEMBL4244559

SCHEMBL4244559

Nc1nc2c(C(=O)Nc3nc4c(s3)CN(Cc3ccsc3)CC4)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 8/20 0.51
KDM4E B2RXH2 6/20 0.51
RAB9A P51151 6/20 0.51
KMT2A Q03164 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 4/20 0.51
GAA P10253 8/20 0.47
NPC1 O15118 4/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 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
SCHEMBL4244548 0.91 MAPT (0.49) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL4239713 0.89 MAPT (0.54) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL4244264 0.88 MAPT (0.58) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL4243788 0.87 MAPT (0.51) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL6104300 0.87 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL4244399 0.86 RAB9A (0.47) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL4239176 0.86 MAPT (0.51) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL4243717 0.85 MAPT (0.46) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL4246137 0.85 RAB9A (0.51) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL6102377 0.84 GAA (0.52) ALDH1A1MAPTKDM4ERAB9AKMT2A

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 ALDH1A1 1717/4885MAPT 85/4885KDM4E 3510/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885MAPT 85/4885KDM4E 3510/4885

“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.