SCHEMBL4390042

SCHEMBL4390042

O=c1c(I)c(O)ccn1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK14 Q16539 5/20 0.49
EGLN1 Q9GZT9 1/20 0.47
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE1C Q14123 2/20 0.46
PTGER3 P43115 1/20 0.45
DBH P09172 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 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
SCHEMBL4374173 0.83 MAPK14 (0.61) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL6502292 0.83 POLB (0.50) SMN1; SMN2ALDH1A1KDM4EPOLBTHRB
SCHEMBL1866365 0.81 EGLN1 (0.69) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL13678575 0.80 MAPT (0.62) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL4376952 0.80 ALDH1A1 (0.64) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL27621455 0.78 POLB (0.53) SMN1; SMN2ALDH1A1KDM4EPOLBTHRB
SCHEMBL4376920 0.77 MAPK14 (0.77) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL4376099 0.76 MAPK14 (0.76) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL4378877 0.75 MAPK14 (0.49) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL4378463 0.74 MAPK14 (0.64) SMN1; SMN2ALDH1A1KDM4EPOLBTHRB

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 SMN1; SMN2 1433/4885LMNA 1815/4885ALDH1A1 787/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 SMN1; SMN2 1419/4885LMNA 1884/4885ALDH1A1 741/4885

“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.