SCHEMBL1765271

SCHEMBL1765271

N#Cc1cccc(-n2nc(C(=O)N3CNC(=O)C3)cc2-c2cccc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
PPP1CA P62136 1/20 0.44
CCKAR P32238 1/20 0.44
KDM1A O60341 7/20 0.43
SLC5A1 P13866 3/20 0.42
MALT1 Q9UDY8 1/20 0.41
RPA1 P27694 1/20 0.41
MGLL Q99685 3/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL1765163 0.93 MGLL (0.43) KDM1ARPA1MGLL
SCHEMBL1765402 0.92 PTGS2 (0.52) PTGS2PTGS1PPP1CACCKARSLC5A1
SCHEMBL12597373 0.91 KDM1A (0.43) PTGS2PTGS1PPP1CACCKARKDM1A
SCHEMBL1765358 0.90 KDM1A (0.44) PPP1CAKDM1AMALT1RPA1MGLL
SCHEMBL12597264 0.88 RPA1 (0.44) PTGS2PTGS1CCKARKDM1AMALT1
SCHEMBL1765439 0.88 PTGS2 (0.46) PTGS2PTGS1PPP1CACCKARKDM1A
SCHEMBL1764968 0.88 KDM1A (0.44) PTGS2PTGS1PPP1CACCKARKDM1A
SCHEMBL1765421 0.87 PTGS2 (0.47) PTGS2PTGS1PPP1CACCKARSLC5A1
SCHEMBL1765055 0.87 MGLL (0.54) PTGS2PTGS1PPP1CACCKARSLC5A1
SCHEMBL1765522 0.87 MALT1 (0.55) PTGS2PTGS1PPP1CACCKARSLC5A1

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 2773/4885PPP1CA 1664/4885

“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.