SCHEMBL4243591

SCHEMBL4243591

O=C(O)c1ccc2[nH]c(-c3ccc4ccccc4c3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 13/20 0.63
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 1/20 0.60
NR4A2 P43354 1/20 0.53
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL5898189 0.90 CHEK2 (0.66) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL3927854 0.88 CHEK2 (0.71) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL8611783 0.87 KDM4E (0.69) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL28930292 0.87 KDM4E (0.68) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL3567262 0.87 CHEK2 (0.68) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL31533522 0.86 KDM4E (0.72) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL5897567 0.86 CHEK2 (0.69) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL7602620 0.86 KDM4E (0.70) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL3560621 0.85 KDM4E (0.66) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL31412081 0.85 KDM4E (0.79) CHEK2KDM4EALDH1A1HPGDNPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
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 CHEK2 3480/4885KDM4E 3510/4885ALDH1A1 1717/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CHEK2 3480/4885KDM4E 3510/4885ALDH1A1 1717/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CHEK2 3480/4885KDM4E 3510/4885ALDH1A1 1717/4885

“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.