SCHEMBL4244399

SCHEMBL4244399

Nc1nc2c(C(=O)Nc3nc4c(s3)CN(Cc3cccs3)CC4)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.47
MAPT P10636 10/20 0.47
ALDH1A1 P00352 9/20 0.47
SMN1; SMN2 Q16637 9/20 0.47
KDM4E B2RXH2 7/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
GAA P10253 7/20 0.45
NPC1 O15118 8/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
TP53 P04637 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41

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
SCHEMBL4244386 0.91 ALDH1A1 (0.47) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4243717 0.87 MAPT (0.46) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4243788 0.86 MAPT (0.51) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4244559 0.86 ALDH1A1 (0.51) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4239713 0.86 MAPT (0.54) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4244264 0.85 MAPT (0.58) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6102377 0.85 GAA (0.52) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4235562 0.85 MAPT (0.49) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4248451 0.84 GAA (0.49) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4246262 0.84 GAA (0.47) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E

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 RAB9A 2719/4885MAPT 85/4885ALDH1A1 1717/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RAB9A 2719/4885MAPT 85/4885ALDH1A1 1717/4885

“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.