SCHEMBL3664282

SCHEMBL3664282

COc1ccc(N/C(=C\[N+](=O)[O-])NCCCn2ccnc2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 6/20 0.74
QPCT Q16769 11/20 0.69
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL3626420 1.00 QPCTL (0.74) QPCTLQPCTMEN1KMT2A
SCHEMBL10144453 1.00 QPCTL (0.74) QPCTLQPCTMEN1KMT2A
SCHEMBL10144452 0.91 QPCTL (0.73) QPCTLQPCT
SCHEMBL3661669 0.91 QPCTL (0.73) QPCTLQPCT
SCHEMBL3661673 0.91 QPCTL (0.73) QPCTLQPCT
SCHEMBL10144433 0.87 ALDH1A1 (0.66) QPCTLQPCTKMT2A
SCHEMBL5061104 0.87 ALDH1A1 (0.66) QPCTLQPCTKMT2A
SCHEMBL3625811 0.87 ALDH1A1 (0.66) QPCTLQPCTKMT2A
SCHEMBL14012457 0.85 QPCTL (1.00) QPCTLQPCT
SCHEMBL3633424 0.85 QPCTL (1.00) QPCTLQPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142515-B1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2014-03-26 EP claimed
US-8202897-B2 pharmaceutically acceptable salt, solvate or polymorph for disease therapy PROBIODRUG AG (DE) 2012-06-19 US claimed
US-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES PROBIODRUG AG (DE) 2008-10-23 US claimed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 US claimed
EP-2142515-B1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2014-03-26 EP disclosed
US-8202897-B2 pharmaceutically acceptable salt, solvate or polymorph for disease therapy PROBIODRUG AG (DE) 2012-06-19 US disclosed
EP-2142515-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
WO-2008128987-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
US-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES PROBIODRUG AG (DE) 2008-10-23 US 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 (2 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-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT QPCTL 20/4885QPCT 3/4885MEN1 1135/4885
US-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES GLS, GLS2, GLUL QPCTL 23/4885QPCT 4/4885MEN1 888/4885

“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.