SCHEMBL4244262

SCHEMBL4244262

COc1cc(C(=O)Nc2nc3c(C(=O)O)cccc3[nH]2)nc(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
ADORA2A P29274 2/20 0.50
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.48
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
DHODH Q02127 4/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
PKM P14618 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PAX8 Q06710 1/20 0.43
CTSA P10619 1/20 0.42
POLB P06746 1/20 0.41
KLF5 Q13887 1/20 0.41
RIPK1 Q13546 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1202185 0.86 RAB9A (0.43) MAOBADORA2ATDP1LMNAADORA2B
SCHEMBL4244787 0.77 MAOB (0.51) MAOBADORA2ALMNAADORA2BADORA1
SCHEMBL4246210 0.75 MAOB (0.58) MAOBADORA2ATDP1LMNAADORA2B
SCHEMBL4241721 0.74 NPC1 (0.58) MAOBADORA2ALMNAADORA2BADORA1
SCHEMBL1202261 0.74 MAOB (0.51) MAOBADORA2ALMNAADORA2BADORA1
SCHEMBL4237819 0.73 MAOB (0.46) MAOBADORA2ATDP1LMNAADORA2B
SCHEMBL13201041 0.73 LMNA (0.60) TDP1LMNARAB9ANPC1CTSA
SCHEMBL4235141 0.73 DHODH (0.53) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4244245 0.73 MAOB (0.65) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4244672 0.73 MAOB (0.55) MAOBADORA2ATDP1ADORA2BADORA1

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 3841/4885TDP1 595/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885TDP1 595/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885TDP1 595/4885

“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.