SCHEMBL4240699

SCHEMBL4240699

COc1ccc(CN2CCc3nc(NC(=O)c4cccc5[nH]c(N)nc45)sc3C2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 7/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 4/20 0.42
MAPK1 P28482 1/20 0.41
TP53 P04637 2/20 0.41
KDR P35968 1/20 0.40
ROCK2 O75116 4/20 0.40
RAD52 P43351 1/20 0.40
F10 P00742 1/20 0.39
CYP3A4 P08684 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
SCHEMBL4240690 0.92 RAB9A (0.46) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL4243661 0.91 MAPT (0.47) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL4246137 0.89 RAB9A (0.51) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL4239176 0.89 MAPT (0.51) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL1200952 0.85 RAB9A (0.42) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL4243643 0.83 RAB9A (0.46) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL4239433 0.83 MAPT (0.49) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL6102377 0.82 GAA (0.52) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL4239713 0.81 MAPT (0.54) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL4248451 0.81 GAA (0.49) RAB9ANPC1CYP1A2CYP2C19CYP2D6

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-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 188/4885CYP1A2 670/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RAB9A 2719/4885NPC1 188/4885CYP1A2 670/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885NPC1 188/4885CYP1A2 670/4885

“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.