SCHEMBL5056753

SCHEMBL5056753

O=C1NC(=NCc2ccccc2)C(c2ccccc2Cl)N1CCCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.47
MDM2 Q00987 7/20 0.47
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5056749 1.00 TP53 (0.47) TP53MDM2RXFP1TSHRKDM4E
SCHEMBL14076238 0.94 TP53 (0.47) TP53MDM2TSHRALDH1A1
SCHEMBL5056665 0.94 TP53 (0.47) TP53MDM2TSHRALDH1A1
SCHEMBL5063828 0.89 TP53 (0.44) TP53MDM2RXFP1TSHRKDM4E
SCHEMBL5063824 0.89 TP53 (0.44) TP53MDM2RXFP1TSHRKDM4E
SCHEMBL5058219 0.87 ALDH1A1 (0.43) TP53MDM2TSHRALDH1A1
SCHEMBL14076244 0.87 ALDH1A1 (0.43) TP53MDM2TSHRALDH1A1
SCHEMBL5061982 0.87 RXFP1 (0.52) TP53MDM2RXFP1TSHR
SCHEMBL14076329 0.87 RXFP1 (0.52) TP53MDM2RXFP1TSHR
SCHEMBL5061975 0.87 RXFP1 (0.52) TP53MDM2RXFP1TSHR

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 TP53 4245/4885MDM2 4423/4885RXFP1 1177/4885

“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.