SCHEMBL4489478

SCHEMBL4489478

COc1ccc(Cn2ccc(OCc3ccc(Cl)cc3)c(Br)c2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.74
MAPT P10636 5/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 2/20 0.46
NPBWR1 P48145 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL4477450 0.91 MAPK14 (0.88) MAPK14MAPTTP53LMNANPSR1
SCHEMBL4467678 0.89 MAPK14 (0.77) MAPK14MAPTTP53LMNAKDM4E
SCHEMBL4469536 0.86 MAPK14 (0.87) MAPK14LMNANPSR1KDM4EMEN1
SCHEMBL4468370 0.86 MAPK14 (0.87) MAPK14LMNANPSR1KDM4EMEN1
SCHEMBL4466494 0.85 MAPK14 (1.00) MAPK14MAPTNPSR1GAAVEGFA
SCHEMBL4477534 0.82 MAPK14 (0.82) MAPK14MAPTTP53LMNANPSR1
SCHEMBL4485643 0.82 MAPK14 (0.73) MAPK14MAPTTP53LMNANPSR1
SCHEMBL4469296 0.82 MAPK14 (0.75) MAPK14MAPTTP53LMNAMEN1
SCHEMBL4470817 0.81 MAPK14 (0.87) MAPK14NPSR1MEN1KMT2A
SCHEMBL3520639 0.80 MAPK14 (0.48) MAPK14MAPTTP53LMNANPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US 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 (4 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885MAPT 2803/4885TP53 1849/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885MAPT 3791/4885TP53 3219/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885MAPT 2543/4885TP53 1598/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885MAPT 2469/4885TP53 975/4885

“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.