SCHEMBL4485504

SCHEMBL4485504

COc1cccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.53
PTGER3 P43115 2/20 0.52
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
GRM2 Q14416 1/20 0.46
LPO P22079 1/20 0.43
MAOB P27338 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 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
SCHEMBL14547795 0.85 MAPK14 (0.58) MAPK14LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL4490349 0.83 MAPK14 (0.64) MAPK14PTGER3LMNAKDM4ESMN1; SMN2
SCHEMBL4466645 0.83 MAPK14 (0.51) MAPK14PTGER3KDM4ESMN1; SMN2MEN1
SCHEMBL4477668 0.82 MAPK14 (0.53) MAPK14PTGER3KDM4ESMN1; SMN2MEN1
SCHEMBL4462622 0.82 MAPK14 (0.53) MAPK14PTGER3LMNAKDM4EHPGD
SCHEMBL4489754 0.81 MAPK14 (0.52) MAPK14PTGER3MAPTTP53LMNA
SCHEMBL4489729 0.81 MAPK14 (0.75) MAPK14PTGER3MAPTTP53LMNA
SCHEMBL3526877 0.81 HPGD (0.57) MAPK14PTGER3MAPTTP53KDM4E
SCHEMBL4476632 0.78 MAPK14 (0.53) MAPK14KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL4477534 0.77 MAPK14 (0.82) MAPK14PTGER3MAPTTP53LMNA

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 6 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-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 MAPK14 41/4885PTGER3 910/4885MAPT 2803/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885PTGER3 499/4885MAPT 2543/4885

“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.