SCHEMBL4247797

SCHEMBL4247797

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cncc(-c2cccc(F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.57
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CLK2 P49760 2/20 0.46
DYRK1A Q13627 2/20 0.46
MAOB P27338 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CLK3 P49761 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PARP1 P09874 2/20 0.42
KDR P35968 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL4237847 0.91 DHODH (0.52) DHODHNPC1RAB9AMAOBADORA2A
SCHEMBL4240384 0.88 DHODH (0.48) DHODHNPC1RAB9AMAOBADORA2A
SCHEMBL1201987 0.87 NPC1 (0.46) DHODHNPC1RAB9ACLK2DYRK1A
SCHEMBL4239347 0.85 DHODH (0.61) DHODHMAOBADORA2AKDM4EHPGD
SCHEMBL4241743 0.83 DHODH (0.53) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4235929 0.83 MAOB (0.51) DHODHNPC1RAB9AMAOBADORA2A
SCHEMBL4239787 0.82 DHODH (0.55) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL1202155 0.79 MAOB (0.46) DHODHNPC1RAB9AMAOBADORA2A
SCHEMBL4235011 0.78 MAOB (0.49) DHODHNPC1RAB9AMAOBADORA2A
SCHEMBL4243685 0.78 DHODH (0.53) DHODHNPC1RAB9AMAOBADORA2A

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 DHODH 907/4885NPC1 188/4885RAB9A 2719/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP DHODH 907/4885NPC1 188/4885RAB9A 2719/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP DHODH 907/4885NPC1 188/4885RAB9A 2719/4885

“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.