SCHEMBL10144444

SCHEMBL10144444

O=[N+]([O-])/C=C(\NCCCn1ccnc1)Nc1ccc2c(c1)OCO2

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 6/20 0.73
QPCT Q16769 6/20 0.67
MAPK1 P28482 1/20 0.53
ALOX15 P16050 2/20 0.52
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP19A1 P11511 2/20 0.48
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3667330 1.00 QPCTL (0.73) QPCTLQPCTMAPK1ALOX15MAOA
SCHEMBL3631839 1.00 QPCTL (0.73) QPCTLQPCTMAPK1ALOX15MAOA
SCHEMBL10144438 0.94 QPCT (0.67) QPCTLQPCTMAPK1ALOX15MAOA
SCHEMBL3629027 0.94 QPCT (0.67) QPCTLQPCTMAPK1ALOX15MAOA
SCHEMBL3665275 0.94 QPCT (0.67) QPCTLQPCTMAPK1ALOX15MAOA
SCHEMBL5068654 0.85 QPCTL (1.00) QPCTLQPCT
SCHEMBL14012463 0.85 QPCTL (1.00) QPCTLQPCT
SCHEMBL3630430 0.85 QPCTL (1.00) QPCTLQPCT
SCHEMBL14012453 0.84 QPCTL (1.00) QPCTLQPCT
SCHEMBL3628261 0.84 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 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 4/4885MAPK1 1321/4885

“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.