SCHEMBL5053586

SCHEMBL5053586

O=c1c(C2/C(=N\Cc3ccccc3)NC(=S)N2c2ccc3[nH]cnc3c2)coc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 11/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL5053588 1.00 QPCT (0.35) QPCTSMN1; SMN2SIGMAR1KDM4EMEN1
SCHEMBL14076353 1.00 QPCT (0.35) QPCTSMN1; SMN2SIGMAR1KDM4EMEN1
SCHEMBL14076487 0.83 QPCT (0.39) QPCTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5063761 0.83 QPCT (0.39) QPCTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5053513 0.83 ALDH1A1 (0.34) QPCTSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL14076655 0.83 ALDH1A1 (0.34) QPCTSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL14076456 0.82 QPCT (0.37) QPCT
SCHEMBL5058229 0.82 QPCT (0.37) QPCT
SCHEMBL5053601 0.77 QPCT (0.38) QPCTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14076558 0.77 QPCT (0.38) QPCTSMN1; SMN2KDM4EALDH1A1

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 9/4885SMN1; SMN2 3467/4885SIGMAR1 1902/4885

“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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