SCHEMBL2413629

SCHEMBL2413629

c1nc2cc(-c3nnc(CCc4ccc5c(c4)OCO5)o3)ccc2[nH]1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.85
QPCTL Q9NXS2 2/20 0.54
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2397607 0.81 QPCT (0.82) QPCTQPCTL
SCHEMBL2397450 0.79 QPCT (0.85) QPCTQPCTLKDM4EUSP2TSHR
SCHEMBL2395058 0.79 QPCT (0.84) QPCTQPCTL
SCHEMBL2397493 0.79 QPCT (0.61) QPCTQPCTL
SCHEMBL2397652 0.78 QPCTL (0.85) QPCTQPCTL
SCHEMBL2397750 0.77 QPCTL (0.85) QPCTQPCTLKDM4ETSHRMAPT
SCHEMBL13373419 0.77 QPCT (0.50) QPCTQPCTLGSK3BKDM4ETSHR
SCHEMBL2395925 0.75 QPCT (0.57) QPCTQPCTLGSK3BTSHRL3MBTL1
SCHEMBL2394836 0.75 QPCT (0.59) QPCTQPCTL
SCHEMBL2396677 0.75 QPCT (0.68) QPCTQPCTLKDM4ETSHRMAPT

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-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 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 (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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS QPCT 1/4885QPCTL 5/4885GSK3B 1270/4885

“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.