SCHEMBL2707694

SCHEMBL2707694

COC(=O)c1ccc(C)c(-n2c(C)cc(O)c(Br)c2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK14 Q16539 5/20 0.46
ROCK2 O75116 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
STRADA Q7RTN6 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL4382362 0.90 MAPK14 (0.46) ALDH1A1LMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL4509497 0.86 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL12798301 0.86 MAPK14 (0.44) ALDH1A1SMN1; SMN2TP53MAPK14ROCK2
SCHEMBL2706985 0.86 ALDH1A1 (0.53) ALDH1A1HSD17B10MEN1TP53ALOX15
SCHEMBL2706592 0.85 MAPK14 (0.57) ALDH1A1MAPK14ROCK2MAPK12MAPK11
SCHEMBL6504567 0.83 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL12798413 0.82 MAPK14 (0.45) ALDH1A1TP53MAPTHPGDHTT
SCHEMBL4387425 0.82 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL2706645 0.81 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2HSD17B10KDM4E
SCHEMBL4390396 0.80 ALDH1A1 (0.50) ALDH1A1LMNAMAPK14ROCK2MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER, INC. 2008-07-24 US claimed
EP-2102161-B1 Processes for the preparation of 3-(4-(2,4-difluorobenzyloxy)-3-bromo-6-methyl- 2-oxopyridin-1(2H)-yl)-N,4-dimethylbenzamide PFIZER PROD INC (US) 2012-05-02 EP disclosed
EP-2102161-B1 Processes for the preparation of 3-(4-(2,4-difluorobenzyloxy)-3-bromo-6-methyl- 2-oxopyridin-1(2H)-yl)-N,4-dimethylbenzamide PFIZER PROD INC (US) 2012-05-02 EP disclosed
US-7906536-B2 Halogenation of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoate or derivative; reacting with benzyl halide in solvent and base; chemical intermediates of 4-hydroxy-6-methylpyranone and methyl-3-amino-4-methyl benzoate; amidation, etherification, esterification; p38 kinase inhibitor PFIZER INC (US) 2011-03-15 US disclosed
US-7906536-B2 Halogenation of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoate or derivative; reacting with benzyl halide in solvent and base; chemical intermediates of 4-hydroxy-6-methylpyranone and methyl-3-amino-4-methyl benzoate; amidation, etherification, esterification; p38 kinase inhibitor PFIZER INC (US) 2011-03-15 US disclosed
US-7906536-B2 Halogenation of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoate or derivative; reacting with benzyl halide in solvent and base; chemical intermediates of 4-hydroxy-6-methylpyranone and methyl-3-amino-4-methyl benzoate; amidation, etherification, esterification; p38 kinase inhibitor PFIZER INC (US) 2011-03-15 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
EP-2102161-A2 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE Pfizer Products Incorporated (US) 2009-09-23 EP disclosed
JP-2008231090-A PROCESS FOR PREPARING 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDINE-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER PROD INC 2008-10-02 JP disclosed
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER, INC. 2008-07-24 US disclosed
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER, INC. 2008-07-24 US disclosed
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER, INC. 2008-07-24 US disclosed
WO-2008072079-A2 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER PRODUCTS INC. (US) 2008-06-19 WO disclosed
WO-2008072079-A2 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER PRODUCTS INC. (US) 2008-06-19 WO disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 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 (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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 ALDH1A1 1197/4885LMNA 2954/4885SMN1; SMN2 4091/4885
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE CYP4X1, CYP4B1, KDM4B ALDH1A1 1589/4885LMNA 1184/4885SMN1; SMN2 1719/4885

“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.