SCHEMBL4244429

SCHEMBL4244429

CC(C)Oc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(C(N)=O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
PTGES O14684 11/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KLF5 Q13887 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
NAMPT P43490 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
FFAR2 O15552 1/20 0.33
CSF1R P07333 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4234884 0.89 HPGDS (0.51) HPGDSPTGESNPC1RAB9AALPL
SCHEMBL4244438 0.88 HPGDS (0.43) HPGDSPTGESNPC1RAB9AKLF5
SCHEMBL4239757 0.87 HPGDS (0.42) HPGDSPTGESMEN1KMT2A
SCHEMBL4237745 0.85 HPGDS (0.41) HPGDSPTGES
SCHEMBL4234871 0.85 HPGDS (0.43) HPGDSPTGESNPC1RAB9AMEN1
SCHEMBL4243786 0.83 PTGES (0.40) HPGDSPTGESNPC1RAB9AFFAR2
SCHEMBL4242575 0.82 FAAH (0.41) HPGDSPTGES
SCHEMBL4243619 0.80 HPGDS (0.37) HPGDSPTGESNAMPT
SCHEMBL1202144 0.79 NPC1 (0.43) HPGDSPTGESNPC1RAB9AKLF5
SCHEMBL4247272 0.79 PTGES (0.41) HPGDSPTGES

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 6 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
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 HPGDS 2231/4885PTGES 2022/4885NPC1 188/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP HPGDS 2231/4885PTGES 2022/4885NPC1 188/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HPGDS 2231/4885PTGES 2022/4885NPC1 188/4885

“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.