SCHEMBL5058071

SCHEMBL5058071

CN=C1NC(=O)N(CCCn2ccnc2)C1c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 13/20 0.46
MDM2 Q00987 13/20 0.46
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MDM4 O15151 2/20 0.43
ANXA2 P07355 1/20 0.43
S100A10 P60903 1/20 0.43

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
SCHEMBL5058069 1.00 KDM4E (0.53) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5061944 0.89 TP53 (0.50) KDM4ETP53MDM2TSHRRXFP1
SCHEMBL5061950 0.89 TP53 (0.50) KDM4ETP53MDM2TSHRRXFP1
SCHEMBL5056887 0.85 RXFP1 (0.50) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5056880 0.85 RXFP1 (0.50) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL14076333 0.85 RXFP1 (0.50) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5058078 0.83 KDM4E (0.47) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL14076324 0.83 KDM4E (0.47) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5058075 0.83 KDM4E (0.47) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5062092 0.82 ANXA2 (0.48) KDM4EMEN1CYP1A2CYP3A4CYP2C9

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 KDM4E 3591/4885MEN1 3380/4885CYP1A2 1934/4885

“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.