SCHEMBL2540163

SCHEMBL2540163

COc1ccc(CNc2ccc3nc[nH]c3c2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 12/20 0.71
GAA P10253 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
APAF1 O14727 1/20 0.55
RAB9A P51151 1/20 0.53
QPCTL Q9NXS2 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
DHFR P00374 1/20 0.52

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
SCHEMBL2541359 0.85 QPCT (0.69) QPCTKMT2AALDH1A1MAPTKDM4E
SCHEMBL22440185 0.81 MAPT (0.54) QPCTGAAPOLBMEN1KMT2A
SCHEMBL2541690 0.80 QPCT (0.54) QPCTGAAPOLBMEN1KMT2A
SCHEMBL2538430 0.80 QPCT (0.67) QPCTGAAALDH1A1MAPTKDM4E
SCHEMBL21303609 0.80 GAA (0.53) QPCTGAAPOLBMEN1KMT2A
SCHEMBL3630981 0.78 QPCT (1.00) QPCTALDH1A1
SCHEMBL2536231 0.78 QPCT (0.67) QPCTPOLB
SCHEMBL2539376 0.78 QPCT (0.67) QPCTPOLBMAPTRAB9A
SCHEMBL24821371 0.76 ADRA2A (0.51) QPCTGAAMEN1KMT2AALDH1A1
SCHEMBL18664376 0.75 DHFR (0.58) GAAPOLBMEN1KMT2AALDH1A1

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-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 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 (1 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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885GAA 238/4885POLB 1231/4885

“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.