SCHEMBL4244068

SCHEMBL4244068

CC(C)Oc1cncc(C(=O)Nc2nc3c(C(=O)O)cccc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
KLF5 Q13887 1/20 0.51
MAOB P27338 3/20 0.47
ADORA2A P29274 3/20 0.47
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CSNK1E P49674 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
DHODH Q02127 2/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 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
SCHEMBL4234897 0.92 MAOB (0.44) RAB9ANPC1KLF5MAOBADORA2A
SCHEMBL4244780 0.91 MAOB (0.47) RAB9ANPC1KLF5MAOBADORA2A
SCHEMBL4244518 0.91 MAOB (0.47) RAB9ANPC1KLF5MAOBADORA2A
SCHEMBL4244512 0.91 MAOB (0.47) RAB9ANPC1KLF5MAOBADORA2A
SCHEMBL4237901 0.90 MAOB (0.48) RAB9ANPC1KLF5MAOBADORA2A
SCHEMBL4235755 0.88 MAOB (0.45) RAB9ANPC1KLF5MAOBADORA2A
SCHEMBL1202007 0.86 RAB9A (0.48) RAB9ANPC1KLF5MAOBADORA2A
SCHEMBL4243685 0.86 DHODH (0.53) RAB9ANPC1MAOBADORA2AADORA2B
SCHEMBL4239426 0.85 MAOB (0.46) RAB9ANPC1MAOBADORA2AADORA2B
SCHEMBL4239223 0.84 RIPK1 (0.46) RAB9ANPC1MAOBADORA2AADORA2B

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 RAB9A 2719/4885NPC1 188/4885KLF5 1757/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RAB9A 2719/4885NPC1 188/4885KLF5 1757/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885NPC1 188/4885KLF5 1757/4885

“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.