SCHEMBL2398221

SCHEMBL2398221

COc1cccc(CCc2nnc(-c3ccc4[nH]cnc4c3)o2)c1OC

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 15/20 0.85
QPCTL Q9NXS2 4/20 0.55
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CA P42336 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
SCHEMBL2396677 0.85 QPCT (0.68) QPCTQPCTLKDM4EALDH1A1SMN1; SMN2
SCHEMBL2397644 0.83 QPCT (0.85) QPCTQPCTLKDM4EALDH1A1
SCHEMBL2394836 0.81 QPCT (0.59) QPCTQPCTL
SCHEMBL2397450 0.81 QPCT (0.85) QPCTQPCTLKDM4EALDH1A1SMN1; SMN2
SCHEMBL2396817 0.78 QPCT (0.62) QPCTQPCTL
SCHEMBL2397750 0.78 QPCTL (0.85) QPCTQPCTLKDM4EALDH1A1SMN1; SMN2
SCHEMBL2397544 0.78 QPCTL (0.85) QPCTQPCTL
SCHEMBL2397607 0.77 QPCT (0.82) QPCTQPCTL
SCHEMBL2399062 0.77 QPCTL (0.62) QPCTQPCTL
SCHEMBL2396023 0.76 QPCT (0.84) QPCTQPCTL

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 5/4885KDM4E 494/4885

“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.