SCHEMBL5056658

SCHEMBL5056658

S=C1NC(=NC2CCCCC2)C(c2cc3c(cc2Br)OCO3)N1c1ccc2nc[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 18/20 0.42
▸ CDK1 P06493 1/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14076586 1.00 QPCT (0.42) QPCTCDK1NPC1MAPTRAB9A
SCHEMBL14076458 0.91 QPCT (0.50) QPCT
SCHEMBL5056691 0.91 QPCT (0.50) QPCT
SCHEMBL14217695 0.80 QPCT (0.39) QPCTCDK1
SCHEMBL5058061 0.80 QPCT (0.39) QPCTCDK1
SCHEMBL5053552 0.80 QPCT (0.47) QPCT
SCHEMBL14076714 0.80 QPCT (0.47) QPCT
SCHEMBL5053554 0.80 QPCT (0.47) QPCT
SCHEMBL5134317 0.74 QPCT (0.34) QPCTNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5134318 0.74 QPCT (0.34) QPCTNPC1MAPTRAB9ASMN1; SMN2

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
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP claimed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 — — US claimed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US claimed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 — — US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — 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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL QPCT 9/4885CDK1 2373/4885NPC1 2022/4885

“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.

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