SCHEMBL4385111

SCHEMBL4385111

COC(=O)CCn1ccc(OCc2ccccc2)c(Br)c1=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.64
GRM2 Q14416 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KAT2B Q92831 1/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL4389963 0.89 MAPK14 (0.61) MAPK14GRM2KDM4EALDH1A1
SCHEMBL4473993 0.88 MAPK14 (0.70) MAPK14GRM2
SCHEMBL4477627 0.86 MAPK14 (0.67) MAPK14GRM2HTTLMNA
Hydrochloric Acid SCHEMBL4481459 0.81 MAPK14 (0.57) MAPK14GRM2BRD4
SCHEMBL3527413 0.81 POLB (0.45) MAPK14KAT2BKDM4ENPC1ALDH1A1
SCHEMBL5861929 0.80 MAPK14 (0.73) MAPK14GRM2
SCHEMBL4382431 0.80 MAPK14 (0.77) MAPK14GRM2L3MBTL1KDM4ENPC1
Hydrochloric Acid SCHEMBL4469753 0.79 MAPK14 (0.55) MAPK14GRM2BRD4
SCHEMBL4375982 0.79 MAPK14 (0.74) MAPK14L3MBTL1MAPTALDH1A1LMNA
SCHEMBL4470415 0.79 MAPK14 (1.00) MAPK14GRM2NPC1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP 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
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 (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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885GRM2 1349/4885L3MBTL1 3937/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885GRM2 1436/4885L3MBTL1 3850/4885

“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.