SCHEMBL1706078

SCHEMBL1706078

Clc1ccc(Nc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 8/20 0.83
GSK3B P49841 8/20 0.54
ACHE P22303 1/20 0.48
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
HDAC1 Q13547 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
SCHEMBL1706156 0.88 QPCT (0.83) QPCTGSK3BACHESPHK2HDAC1
SCHEMBL1706167 0.81 QPCT (0.84) QPCTGSK3BACHE
SCHEMBL14466946 0.76 VCP (0.58) QPCT
SCHEMBL13373351 0.74 ALDH1A1 (0.46) QPCT
SCHEMBL1706589 0.74 QPCT (0.84) QPCTGSK3B
SCHEMBL1706112 0.73 QPCT (0.83) QPCTSPHK2
SCHEMBL2395930 0.73 QPCT (0.52) QPCT
SCHEMBL1706431 0.72 QPCT (0.50) QPCT
SCHEMBL3532271 0.72 SPHK2 (0.74) QPCTGSK3BACHESPHK2HDAC1
SCHEMBL17377392 0.72 SPHK2 (0.74) QPCTGSK3BACHESPHK2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US claimed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP claimed
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-04 US claimed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
EP-2091948-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-04 US disclosed
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-04 US disclosed
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-04 US disclosed
WO-2008065141-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-06-05 WO disclosed
WO-2008065141-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-06-05 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-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL QPCT 7/4885GSK3B 2233/4885ACHE 4326/4885

“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.