SCHEMBL4239347

SCHEMBL4239347

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.61
ABL1 P00519 7/20 0.48
OPRM1 P35372 1/20 0.48
KCNH2 Q12809 1/20 0.48
MTOR P42345 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.42
MAOB P27338 1/20 0.41
ADORA2A P29274 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
SCHEMBL4239787 0.92 DHODH (0.55) DHODHABL1OPRM1KCNH2MTOR
SCHEMBL1201134 0.88 DHODH (0.47) DHODHABL1OPRM1KCNH2MTOR
SCHEMBL4237847 0.86 DHODH (0.52) DHODHKDM4EHPGDMAOBADORA2A
SCHEMBL4247797 0.85 DHODH (0.57) DHODHABL1KDM4EHPGDMAOB
SCHEMBL4235929 0.82 MAOB (0.51) DHODHKDM4EMAOBADORA2A
SCHEMBL1202592 0.81 ABL1 (0.49) DHODHABL1OPRM1KCNH2MTOR
SCHEMBL4243685 0.80 DHODH (0.53) DHODHKDM4EHPGDMAOBADORA2A
SCHEMBL4241743 0.78 DHODH (0.53) DHODHABL1MAOBADORA2A
SCHEMBL4248521 0.78 MTOR (0.54) DHODHABL1MTORKDM4EHPGD
SCHEMBL4240384 0.78 DHODH (0.48) 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 907/4885ABL1 3372/4885OPRM1 4750/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP DHODH 907/4885ABL1 3372/4885OPRM1 4750/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP DHODH 907/4885ABL1 3372/4885OPRM1 4750/4885

“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.