SCHEMBL4241749

SCHEMBL4241749

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cncc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.55
SIRT2 Q8IXJ6 14/20 0.50
SIRT3 Q9NTG7 11/20 0.50
SIRT1 Q96EB6 9/20 0.50
MAOB P27338 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL1201290 0.89 SIRT2 (0.47) DHODHSIRT2SIRT3SIRT1MAOB
SCHEMBL4239426 0.87 MAOB (0.46) MAOBADORA2AADORA2BADORA1
SCHEMBL4243685 0.86 DHODH (0.53) DHODHSIRT2SIRT3SIRT1MAOB
SCHEMBL4239223 0.86 RIPK1 (0.46) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4235755 0.86 MAOB (0.45) DHODHSIRT2SIRT3SIRT1MAOB
SCHEMBL4244404 0.85 NR1H4 (0.46) MAOBADORA2AADORA2BADORA1
SCHEMBL4235011 0.84 MAOB (0.49) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL8257328 0.84 SIRT2 (0.45) SIRT2SIRT3SIRT1
SCHEMBL4247753 0.84 PARP1 (0.42) SIRT2SIRT3SIRT1MAOBADORA2A
SCHEMBL4236063 0.83 DHODH (0.60) DHODHMAOBADORA2AADORA2BADORA1

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 9 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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 907/4885SIRT2 2286/4885SIRT3 1317/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP DHODH 907/4885SIRT2 2286/4885SIRT3 1317/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP DHODH 907/4885SIRT2 2286/4885SIRT3 1317/4885

“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.