SCHEMBL2536253

SCHEMBL2536253

CCc1ccc(CN(Cc2ccc(SC)cc2)c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.68
QPCTL Q9NXS2 1/20 0.40
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IP6K1 Q92551 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHFR P00374 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2539456 0.95 QPCT (0.74) QPCTQPCTLCDC7DBF4IP6K1
SCHEMBL2540844 0.91 QPCT (0.83) QPCTQPCTLLMNAIP6K1ALDH1A1
SCHEMBL2546370 0.91 QPCT (0.83) QPCTQPCTLCDC7DBF4IP6K1
SCHEMBL2537533 0.91 QPCT (0.83) QPCTQPCTLCDC7DBF4LMNA
SCHEMBL2540194 0.89 QPCT (0.67) QPCTQPCTLCDC7DBF4LMNA
SCHEMBL2545065 0.88 QPCT (0.65) QPCTQPCTLCDC7DBF4LMNA
SCHEMBL2546623 0.87 QPCT (0.64) QPCTQPCTLCDC7DBF4IP6K1
SCHEMBL2543438 0.87 QPCT (0.61) QPCTQPCTL
SCHEMBL2540846 0.87 QPCT (0.64) QPCTQPCTLCDC7DBF4MAPT
SCHEMBL2546379 0.87 QPCT (0.84) QPCTQPCTLLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560953-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP claimed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US claimed
EP-2560953-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP disclosed
EP-2560953-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
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
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 2/4885QPCTL 8/4885CDC7 1511/4885

“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.