SCHEMBL4240993

SCHEMBL4240993

CCS(=O)(=O)Nc1cccc2[nH]c(N)nc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.47
PSIP1 O75475 1/20 0.43
NUDT1 P36639 3/20 0.40
PNP P00491 1/20 0.40
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2A P08913 2/20 0.37
GLO1 Q04760 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MASP2 O00187 1/20 0.37
AOC3 Q16853 1/20 0.37
NR3C1 P04150 1/20 0.36

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
SCHEMBL4243602 0.85 GLO1 (0.51) PARP14NUDT1PNPMEN1ALDH1A1
SCHEMBL4240987 0.81 PARP14 (0.43) PARP14PSIP1MEN1ALDH1A1KMT2A
SCHEMBL7513472 0.77 NUDT1 (0.47) NUDT1PNPMEN1ALDH1A1KMT2A
SCHEMBL15113089 0.74 PARP1 (0.49) PARP14NUDT1MEN1ALDH1A1KMT2A
SCHEMBL8818596 0.73 NUDT1 (0.47) NUDT1PNPMEN1ALDH1A1KMT2A
SCHEMBL12532924 0.69 GLO1 (0.47) PARP14GLO1KDM4EGAANR3C1
SCHEMBL4237754 0.69 GRIN1 (0.54) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL12768022 0.68 PSIP1 (0.73) PARP14PSIP1ALDH1A1KDM4EMAPT
SCHEMBL990148 0.68 POLB (0.47) NUDT1PNPMEN1ALDH1A1KMT2A
SCHEMBL727228 0.68 MGAM (0.53) NUDT1MEN1ALDH1A1KMT2AGAA

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 6 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-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 PARP14 1158/4885PSIP1 2776/4885NUDT1 1921/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PARP14 1158/4885PSIP1 2776/4885NUDT1 1921/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP14 1158/4885PSIP1 2776/4885NUDT1 1921/4885

“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.