SCHEMBL2396832

SCHEMBL2396832

COc1cccc(CC(OC)c2cnc(-c3ccc4[nH]cnc4c3)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 5/20 0.50
QPCT Q16769 11/20 0.42
ROCK1 Q13464 3/20 0.39
PRKACA P17612 1/20 0.39
ROCK2 O75116 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PDPK1 O15530 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL2397076 0.86 QPCTL (0.46) QPCTLQPCTROCK1ROCK2KDM4E
SCHEMBL2396653 0.86 QPCTL (0.58) QPCTLQPCTROCK1PRKACA
SCHEMBL2396266 0.78 QPCTL (0.46) QPCTLQPCTROCK1ROCK2KDM4E
SCHEMBL2398225 0.77 QPCT (0.46) QPCTLQPCTKDM4E
SCHEMBL2397418 0.77 QPCTL (0.57) QPCTLQPCTROCK1PRKACA
SCHEMBL2397375 0.75 QPCTL (0.85) QPCTLQPCT
SCHEMBL2399874 0.75 QPCTL (0.46) QPCTLQPCTKDM4ENPC1PDPK1
SCHEMBL2395994 0.74 QPCTL (0.49) QPCTLQPCT
SCHEMBL2096521 0.72 MMP12 (0.55) QPCTLQPCTALDH1A1MMP12
SCHEMBL2397156 0.70 QPCT (0.45) QPCTLQPCTROCK1ROCK2NPC1

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
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP claimed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US claimed
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
EP-2542549-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-01-09 EP 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 QPCTL 5/4885QPCT 1/4885ROCK1 2872/4885

“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.