Sugi Predict

Sugi Predict / Compounds / SCHEMBL1764945

SCHEMBL1764945

SCHEMBL1764945

CCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.62
▸ FAAH O00519 6/20 0.59
▸ CA9 Q16790 3/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MGLL Q99685 3/20 0.50
▸ SLC5A1 P13866 2/20 0.49
▸ THRB P10828 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2193609 0.93 FAAH (0.60) CHRNA7FAAHCA9MEN1KMT2A
SCHEMBL1764938 0.91 CHRNA7 (0.61) CHRNA7FAAHCA9MEN1KMT2A
SCHEMBL1765448 0.88 CHRNA7 (0.67) CHRNA7FAAHCA9MEN1KMT2A
SCHEMBL1764943 0.88 FAAH (0.53) CHRNA7FAAHCA9MEN1KMT2A
SCHEMBL2194152 0.87 FAAH (0.54) CHRNA7FAAHCA9MEN1KMT2A
SCHEMBL2192072 0.86 FAAH (0.57) CHRNA7FAAHCA9MEN1KMT2A
SCHEMBL1765418 0.85 CHRNA7 (0.64) CHRNA7FAAHCA9MEN1KMT2A
SCHEMBL1764964 0.84 FAAH (0.53) CHRNA7FAAHCA9MEN1KMT2A
SCHEMBL3431585 0.84 SLC5A1 (0.48) CHRNA7FAAHMEN1KMT2ASLC5A1
SCHEMBL1764955 0.84 KMT2A (0.73) MEN1KMT2ASLC5A1PTGS2

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 CHRNA7 3365/4885FAAH 4725/4885CA9 4825/4885

“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.