SCHEMBL4239787

SCHEMBL4239787

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cncc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.55
SCN10A Q9Y5Y9 1/20 0.54
ABL1 P00519 10/20 0.52
MTOR P42345 1/20 0.52
OPRM1 P35372 1/20 0.52
KCNH2 Q12809 1/20 0.52
IGF2BP2 Q9Y6M1 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
PARP1 P09874 1/20 0.42
MAOB P27338 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.41
ADORA1 P30542 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
SCHEMBL4239347 0.92 DHODH (0.61) DHODHSCN10AABL1MTOROPRM1
SCHEMBL1202592 0.88 ABL1 (0.49) DHODHSCN10AABL1MTOROPRM1
SCHEMBL4235929 0.88 MAOB (0.51) DHODHKDM4EPARP1MAOBADORA2A
SCHEMBL4237847 0.87 DHODH (0.52) DHODHKDM4EHPGDPARP1MAOB
SCHEMBL4248521 0.84 MTOR (0.54) DHODHABL1MTORIGF2BP2KDM4E
SCHEMBL4247797 0.82 DHODH (0.57) DHODHABL1KDM4EHPGDPARP1
SCHEMBL1201134 0.81 DHODH (0.47) DHODHSCN10AABL1MTOROPRM1
SCHEMBL4243685 0.78 DHODH (0.53) DHODHKDM4EHPGDMAOBADORA2A
SCHEMBL4240384 0.78 DHODH (0.48) DHODHKDM4EHPGDMAOBADORA2A
SCHEMBL4244068 0.77 RAB9A (0.51) DHODHKDM4EHPGDMAOBADORA2A

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 907/4885SCN10A 3319/4885ABL1 3372/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP DHODH 907/4885SCN10A 3319/4885ABL1 3372/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP DHODH 907/4885SCN10A 3319/4885ABL1 3372/4885

“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.