SCHEMBL1765488

SCHEMBL1765488

O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)n(-c3cccc(C(F)(F)F)c3)n2)CN1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
NPY5R Q15761 2/20 0.45
SLC5A1 P13866 12/20 0.45
PPP1CA P62136 1/20 0.44
CCKAR P32238 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 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
SCHEMBL1765402 0.92 PTGS2 (0.52) PTGS2PTGS1SLC5A1PPP1CACCKAR
SCHEMBL1765519 0.91 PPP1CA (0.45) PTGS2PTGS1NPY5RSLC5A1PPP1CA
SCHEMBL1764973 0.90 MALT1 (0.50) PTGS2PTGS1SLC5A1MEN1MAPT
SCHEMBL1765027 0.89 SLC5A1 (0.44) PTGS2PTGS1SLC5A1MEN1MAPT
SCHEMBL1765049 0.88 SLC5A1 (0.44) PTGS2PTGS1NPY5RSLC5A1PPP1CA
SCHEMBL14995616 0.88 PPP1CA (0.42) PTGS2PTGS1NPY5RSLC5A1PPP1CA
SCHEMBL1765086 0.87 PPP1CA (0.45) PTGS2PTGS1SLC5A1PPP1CACCKAR
SCHEMBL1765421 0.86 PTGS2 (0.47) PTGS2PTGS1SLC5A1PPP1CACCKAR
SCHEMBL1765055 0.86 MGLL (0.54) PTGS2PTGS1SLC5A1PPP1CACCKAR
SCHEMBL1765029 0.86 SLC5A1 (0.58) SLC5A1CCKAR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO PTGS2 3497/4885PTGS1 2773/4885NPY5R 4495/4885

“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.