SCHEMBL2589464

SCHEMBL2589464

COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 10/20 0.37
BCAT2 O15382 8/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
DHODH Q02127 3/20 0.32
MAT2A P31153 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
P2RY1 P47900 1/20 0.31
PPARG P37231 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL3243419 0.89 BCAT1 (0.33) BCAT1BCAT2DHODHP2RY1PPARG
SCHEMBL2594502 0.89 BCAT1 (0.41) BCAT1BCAT2HDAC1HDAC8HDAC6
SCHEMBL3248273 0.89 PKM (0.34) BCAT1BCAT2P2RY1PPARG
SCHEMBL3250960 0.88 DHODH (0.34) BCAT1DHODHP2RY1
SCHEMBL3243364 0.87 BCAT1 (0.33) BCAT1BCAT2DHODHP2RY1PPARG
SCHEMBL6635615 0.86 BCAT1 (0.34) BCAT1BCAT2GRIN1GRIN2BP2RY1
SCHEMBL2582563 0.86 ALDH1A1 (0.40) BCAT1BCAT2HDAC1HDAC8HDAC6
SCHEMBL13397734 0.85 DHODH (0.32) BCAT1DHODHP2RY1
SCHEMBL3955892 0.85 DHODH (0.33) BCAT1DHODH
SCHEMBL5914268 0.84 BCAT1 (0.34) BCAT1BCAT2

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
WO-2011137088-A1 HERBICIDAL URACILS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-03 WO disclosed
EP-1422227-B1 PROCESS FOR PRODUCING PYRIDINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-09-09 EP disclosed
US-7223862-B2 Pyridone compounds useful for producing pyridine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-29 US disclosed
US-7157579-B2 Process for producing pyridine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-02 US disclosed
US-20060189484-A1 PYRIDONE COMPOUNDS USEFUL FOR PRODUCING PYRIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-24 US disclosed
US-20040254077-A1 Process for producing pyridine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-16 US disclosed
EP-1422227-A1 PROCESS FOR PRODUCING PYRIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-05-26 EP 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 (2 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-20040254077-A1 Process for producing pyridine compound CBR1, CBR3, CYP4B1 BCAT1 1753/4885BCAT2 1515/4885HDAC1 1079/4885
US-20060189484-A1 PYRIDONE COMPOUNDS USEFUL FOR PRODUCING PYRIDINE COMPOUNDS CBR3, CBR1, PNPO BCAT1 1359/4885BCAT2 1679/4885HDAC1 2372/4885

“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.