SCHEMBL4241792

SCHEMBL4241792

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cccc(CCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
ADORA2A P29274 3/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
KDM4A O75164 1/20 0.45
DHODH Q02127 6/20 0.43
BRD4 O60885 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PARP1 P09874 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.40
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1202070 0.86 MAOB (0.42) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL13571999 0.84 MAOB (0.43) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL4243578 0.81 DHODH (0.53) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL4242624 0.80 DHODH (0.52) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL4244787 0.80 MAOB (0.51) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL4235011 0.79 MAOB (0.49) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4243794 0.79 DHODH (0.48) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL4238034 0.77 MAOB (0.51) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL4241698 0.77 CFD (0.55) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL1202645 0.77 MAOB (0.48) MAOBADORA2AADORA2BADORA1KDM4A

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 7 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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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 MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885

“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.