SCHEMBL1765417

SCHEMBL1765417

COc1cccc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.55
PTGS2 P35354 4/20 0.49
NSD2 O96028 1/20 0.45
NSD1 Q96L73 1/20 0.45
NSD3 Q9BZ95 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
HPSE Q9Y251 1/20 0.45
RPA1 P27694 4/20 0.44
SLC5A1 P13866 4/20 0.42
SLC16A3 O15427 2/20 0.42
SLC16A1 P53985 2/20 0.42
MCTS1 Q9ULC4 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
PTGS1 P23219 1/20 0.40
FAAH O00519 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
SCHEMBL12649164 0.91 CCKAR (0.53) CCKARPTGS2NSD2NSD1NSD3
SCHEMBL1765517 0.91 CCKAR (0.63) CCKARPTGS2NSD2NSD1NSD3
SCHEMBL1765034 0.90 SLC5A1 (0.49) SLC5A1
SCHEMBL1764936 0.90 RPA1 (0.44) CCKARPTGS2RPA1SLC5A1MEN1
SCHEMBL1764881 0.90 CCKAR (0.43) CCKARPTGS2RPA1SLC5A1MEN1
SCHEMBL15004300 0.89 RPA1 (0.45) CCKARPTGS2RPA1MEN1MAPT
SCHEMBL1764969 0.89 PTGS2 (0.48) CCKARPTGS2RPA1MEN1MAPT
SCHEMBL14780897 0.88 CCKAR (0.49) CCKARPTGS2NSD2NSD1NSD3
SCHEMBL1765015 0.88 MEN1 (0.50) RPA1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL1765260 0.87 CCKAR (0.50) CCKARPTGS2NSD2NSD1NSD3

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 5 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-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 CCKAR 4827/4885PTGS2 3497/4885NSD2 1679/4885

“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.