SCHEMBL11892045

SCHEMBL11892045

COc1ccc(N/C(=N\C#N)NCCCn2cnc(C)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 15/20 0.68
QPCTL Q9NXS2 4/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3641720 1.00 QPCT (0.68) QPCTQPCTLMAOBALDH1A1
SCHEMBL3635255 0.91 QPCT (0.68) QPCTQPCTL
SCHEMBL11892032 0.91 QPCT (0.68) QPCTQPCTL
SCHEMBL11892035 0.90 QPCT (0.68) QPCTQPCTL
SCHEMBL3637926 0.90 QPCT (0.68) QPCTQPCTL
SCHEMBL11892043 0.88 QPCT (0.53) QPCTQPCTL
SCHEMBL3636935 0.88 QPCT (0.53) QPCTQPCTL
SCHEMBL11892039 0.87 QPCT (0.52) QPCTQPCTL
SCHEMBL3636915 0.87 QPCT (0.52) QPCTQPCTL
SCHEMBL11892046 0.87 QPCT (0.52) QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227498-B2 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; 2-cyano(4-ethylphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)guanidine PROBIODRUG AG (DE) 2012-07-24 US disclosed
US-8227498-B2 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; 2-cyano(4-ethylphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)guanidine PROBIODRUG AG (DE) 2012-07-24 US disclosed
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
US-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 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-20080267912-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT QPCT 3/4885QPCTL 14/4885MAOB 1307/4885

“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.