SCHEMBL10144448

SCHEMBL10144448

COc1ccc(N/C(=C/[N+](=O)[O-])NCCCn2ccnc2)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 7/20 0.74
QPCT Q16769 5/20 0.68
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.51
TSHR P16473 1/20 0.51
MAOB P27338 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL3632647 1.00 QPCTL (0.74) QPCTLQPCTALDH1A1MAPTTSHR
SCHEMBL3659166 1.00 QPCTL (0.74) QPCTLQPCTALDH1A1MAPTTSHR
SCHEMBL10144433 0.87 ALDH1A1 (0.66) QPCTLQPCTALDH1A1MAPTTSHR
SCHEMBL5061104 0.87 ALDH1A1 (0.66) QPCTLQPCTALDH1A1MAPTTSHR
SCHEMBL3625811 0.87 ALDH1A1 (0.66) QPCTLQPCTALDH1A1MAPTTSHR
SCHEMBL3633307 0.85 QPCTL (1.00) QPCTLQPCT
SCHEMBL5063790 0.85 QPCTL (1.00) QPCTLQPCT
SCHEMBL14012459 0.85 QPCTL (1.00) QPCTLQPCT
SCHEMBL3664282 0.84 QPCTL (0.74) QPCTLQPCTMEN1KMT2A
SCHEMBL10144453 0.84 QPCTL (0.74) QPCTLQPCTMEN1KMT2A

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 5 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 disclosed
US-8202897-B2 pharmaceutically acceptable salt, solvate or polymorph for disease therapy PROBIODRUG AG (DE) 2012-06-19 US disclosed
US-8202897-B2 pharmaceutically acceptable salt, solvate or polymorph for disease therapy PROBIODRUG AG (DE) 2012-06-19 US disclosed
US-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES PROBIODRUG AG (DE) 2008-10-23 US 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 (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-20080262065-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASES GLS, GLS2, GLUL QPCTL 23/4885QPCT 4/4885ALDH1A1 1467/4885

“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.