SCHEMBL4476536

SCHEMBL4476536

O=C(Nc1ccc(F)cc1F)Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
PTGER3 P43115 2/20 0.53
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4466743 0.88 MAPK14 (0.60) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4480210 0.86 MAPT (0.56) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4467899 0.84 MAPT (0.54) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4385079 0.84 MAPK14 (0.51) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4378804 0.84 MAPK14 (0.56) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3521362 0.84 MAPT (0.49) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4376114 0.80 MAPK14 (0.64) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4474073 0.78 MAPK14 (0.57) MAPK14SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4478413 0.78 MAPK14 (0.56) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4389631 0.77 ALDH1A1 (0.55) MAPK14SMN1; SMN2MEN1KMT2AL3MBTL1

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 5 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
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 41/4885MAPT 2803/4885SMN1; SMN2 1433/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885MAPT 2543/4885SMN1; 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.