SCHEMBL5056771

SCHEMBL5056771

O=C(C/N=C1\NC(=S)N(c2ccc3nc[nH]c3c2)C1c1cc(Br)cs1)N1CCc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ QPCT Q16769 9/20 0.36
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ IP6K1 Q92551 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD11B1 P28845 3/20 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
SCHEMBL5056772 1.00 KDM4E (0.45) KDM4EPRMT5WDR77QPCTGAA
SCHEMBL5056689 0.88 QPCT (0.40) QPCTALDH1A1
SCHEMBL5056694 0.88 QPCT (0.40) QPCTALDH1A1
SCHEMBL14076441 0.77 QPCT (0.41) QPCT
SCHEMBL14076651 0.76 QPCT (0.39) QPCTHSD11B1
SCHEMBL5058191 0.76 QPCT (0.39) QPCTHSD11B1
SCHEMBL5058190 0.76 QPCT (0.39) QPCTHSD11B1
SCHEMBL14076450 0.74 QPCT (0.40) QPCTALDH1A1
SCHEMBL5053494 0.74 QPCT (0.35) QPCT
SCHEMBL14076351 0.74 QPCT (0.35) QPCT

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 11 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
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-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
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — WO 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 KDM4E 3591/4885PRMT5 332/4885WDR77 2719/4885

“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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