SCHEMBL5063786

SCHEMBL5063786

O=C1NC(=NC(c2ccccc2)c2ccccc2)C(C2CCC=CO2)N1CCCn1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
TBXAS1 P24557 2/20 0.39
RXFP1 Q9HBX9 1/20 0.37
MDM2 Q00987 8/20 0.36
TP53 P04637 7/20 0.36
TSHR P16473 1/20 0.36
MDM4 O15151 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ANXA2 P07355 1/20 0.35
S100A10 P60903 1/20 0.35

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
SCHEMBL5063783 1.00 CYP19A1 (0.39) CYP19A1TBXAS1RXFP1MDM2TP53
SCHEMBL14076308 1.00 CYP19A1 (0.39) CYP19A1TBXAS1RXFP1MDM2TP53
SCHEMBL14076340 0.88 CYP19A1 (0.44) CYP19A1TBXAS1MDM2TP53TSHR
SCHEMBL5058059 0.88 CYP19A1 (0.44) CYP19A1TBXAS1MDM2TP53TSHR
SCHEMBL5058052 0.84 KMT2A (0.39) MDM2TP53TSHR
SCHEMBL5058048 0.84 KMT2A (0.39) MDM2TP53TSHR
SCHEMBL5056560 0.83 KMT2A (0.36) TBXAS1MDM2TP53TSHRMDM4
SCHEMBL5056561 0.83 KMT2A (0.36) TBXAS1MDM2TP53TSHRMDM4
SCHEMBL14076334 0.82 FNTA (0.40) CYP19A1RXFP1MDM2TP53TSHR
SCHEMBL5058218 0.82 FNTA (0.40) CYP19A1RXFP1MDM2TP53TSHR

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 CYP19A1 2642/4885TBXAS1 1304/4885RXFP1 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.