SCHEMBL1201833

SCHEMBL1201833

C[C@@H](Oc1cncc(C(=O)Nc2nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]2)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
ADORA2A P29274 3/20 0.42
HPGDS O60760 1/20 0.41
RAB9A P51151 11/20 0.41
NPC1 O15118 9/20 0.41
PKM P14618 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KLF5 Q13887 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
GCK P35557 2/20 0.39
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CSNK1E P49674 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL1201727 1.00 MAOB (0.42) MAOBADORA2AHPGDSRAB9ANPC1
SCHEMBL1202007 0.91 RAB9A (0.48) MAOBADORA2AHPGDSRAB9ANPC1
SCHEMBL1201476 0.89 HPGDS (0.42) MAOBADORA2AHPGDSRAB9ANPC1
SCHEMBL4244512 0.88 MAOB (0.47) MAOBADORA2ARAB9ANPC1PKM
SCHEMBL4244518 0.88 MAOB (0.47) MAOBADORA2ARAB9ANPC1PKM
SCHEMBL4244780 0.88 MAOB (0.47) MAOBADORA2ARAB9ANPC1PKM
SCHEMBL1202462 0.87 HPGDS (0.41) MAOBADORA2AHPGDSRAB9ANPC1
SCHEMBL1200859 0.87 RAB9A (0.44) MAOBADORA2AHPGDSRAB9ANPC1
SCHEMBL1202025 0.86 HPGDS (0.42) MAOBADORA2AHPGDSRAB9ANPC1
SCHEMBL1201290 0.85 SIRT2 (0.47) MAOBADORA2A

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 11 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
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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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 3841/4885HPGDS 2231/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP MAOB 127/4885ADORA2A 3347/4885HPGDS 2366/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885HPGDS 2231/4885

“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.