SCHEMBL4377591

SCHEMBL4377591

COc1cccc(C)c1-n1c(C)cc(O)c(Br)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.48
MAPK14 Q16539 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.36
JAK2 O60674 1/20 0.36
BTK Q06187 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDH1 O75874 1/20 0.35

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
SCHEMBL4375853 0.87 MAPK14 (0.48) MAPK14SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL4389760 0.80 APLNR (0.54) APLNRMAPK14SMN1; SMN2L3MBTL1CYP19A1
SCHEMBL4384354 0.76 MAPK14 (0.53) MAPK14JAK2BTKL3MBTL1
SCHEMBL4384792 0.76 MAPK14 (0.56) MAPK14
SCHEMBL29593985 0.73 MAPK14 (0.88) MAPK14
SCHEMBL23722263 0.67 APLNR (0.50) APLNRALDH1A1MAPK1
SCHEMBL21186775 0.67 MAPK14 (0.47) MAPK14JAK2BTK
SCHEMBL2707694 0.67 ALDH1A1 (0.56) MAPK14SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL6504567 0.67 ALDH1A1 (0.50) MAPK14SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL31381798 0.65 MAPK14 (0.36) MAPK14L3MBTL1MAPTKDM4E

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-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
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 (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 APLNR 3686/4885MAPK14 41/4885SMN1; SMN2 1433/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 APLNR 3374/4885MAPK14 53/4885SMN1; SMN2 1419/4885

“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.