SCHEMBL4244593

SCHEMBL4244593

Nc1nc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
QTRT1 Q9BXR0 1/20 0.46
KEAP1 Q14145 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MASP2 O00187 1/20 0.43
MEN1 O00255 1/20 0.43
NUDT1 P36639 1/20 0.43
KMT2A Q03164 1/20 0.43
AOC3 Q16853 1/20 0.43
RAB9A P51151 1/20 0.43
DHODH Q02127 2/20 0.42
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
MMP2 P08253 1/20 0.42
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM4A O75164 1/20 0.41
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
SCHEMBL1193117 0.85 MEN1 (0.42) ALDH1A1QTRT1KDM4EMASP2MEN1
SCHEMBL1202057 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AKDM5A
SCHEMBL18758064 0.81 ALDH1A1 (0.47) ALDH1A1KEAP1KDM4ERAB9ADHODH
SCHEMBL7863162 0.81 ALDH1A1 (0.47) ALDH1A1KEAP1KDM4ERAB9ADHODH
SCHEMBL8952892 0.81 ALDH1A1 (0.47) ALDH1A1KEAP1KDM4ERAB9ADHODH
SCHEMBL4244194 0.81 GRM5 (0.51) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL18757922 0.79 ALDH1A1 (0.46) ALDH1A1KEAP1KDM4ERAB9ADHODH
SCHEMBL5693339 0.79 PARP1 (0.46) ALDH1A1KEAP1KDM4ERAB9ADHODH
SCHEMBL11830019 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL4241526 0.77 PTK2 (0.41) KMT2ARAB9AMAPTHPGD

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 ALDH1A1 1717/4885QTRT1 695/4885KEAP1 1015/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885QTRT1 695/4885KEAP1 1015/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885QTRT1 695/4885KEAP1 1015/4885

“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.