SCHEMBL5065281

SCHEMBL5065281

Cc1cncn1CCCN/C(=C/[N+](=O)[O-])Nc1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 10/20 0.72
QPCT Q16769 9/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8183779 1.00 QPCTL (0.72) QPCTLQPCTMEN1ALDH1A1LMNA
SCHEMBL3630094 1.00 QPCTL (0.72) QPCTLQPCTMEN1ALDH1A1LMNA
SCHEMBL5068647 0.87 QPCTL (0.68) QPCTLQPCT
SCHEMBL8178664 0.87 QPCTL (0.68) QPCTLQPCT
SCHEMBL3628537 0.87 QPCTL (0.68) QPCTLQPCT
SCHEMBL8178668 0.86 QPCTL (0.75) QPCTLQPCT
SCHEMBL5064357 0.84 QPCTL (1.00) QPCTLQPCT
SCHEMBL8179674 0.84 QPCTL (1.00) QPCTLQPCT
SCHEMBL3633782 0.84 QPCTL (1.00) QPCTLQPCT
SCHEMBL3628261 0.82 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772508-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2014-07-08 US claimed
EP-2142513-B1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2014-03-12 EP claimed
US-20080292582-A1 imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2008-11-27 US claimed
US-8772508-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2014-07-08 US disclosed
EP-2142513-B1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2014-03-12 EP disclosed
US-20080292582-A1 imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2008-11-27 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-20080292582-A1 imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea HTT, MAPT, HYPK QPCTL 3689/4885QPCT 4555/4885MEN1 658/4885

“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.