SCHEMBL2397644

SCHEMBL2397644

COc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)o2)c(OC)c1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.85
QPCTL Q9NXS2 2/20 0.55
MAPT P10636 2/20 0.45
MTNR1B P49286 3/20 0.44
MTNR1A P48039 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL2398221 0.83 QPCT (0.85) QPCTQPCTLKDM4EALDH1A1
SCHEMBL2397450 0.82 QPCT (0.85) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL2396677 0.82 QPCT (0.68) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL2396023 0.79 QPCT (0.84) QPCTQPCTL
SCHEMBL2397750 0.79 QPCTL (0.85) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL2394836 0.78 QPCT (0.59) QPCTQPCTL
SCHEMBL2395925 0.78 QPCT (0.57) QPCTQPCTLTSHR
SCHEMBL2397614 0.78 QPCT (0.85) QPCTQPCTL
SCHEMBL2397238 0.77 QPCT (0.59) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL2397607 0.75 QPCT (0.82) 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 5/4885MAPT 4009/4885

“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.