SCHEMBL4379282

SCHEMBL4379282

C=CCNc1cc(=O)n(-c2c(F)cccc2F)c(C)c1I

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK14 Q16539 1/20 0.30
PDE7A Q13946 1/20 0.30

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
SCHEMBL4375953 0.77 MAPK14 (0.37) MAPK14PDE7A
SCHEMBL4466034 0.74 MAPK14 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3519988 0.66 MAPK14 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3522961 0.64
SCHEMBL9353795 0.63 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL17865619 0.61 ALDH1A1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4377722 0.60 GNRHR (0.38) RAB9ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL3524290 0.60 HPGD (0.30) RAB9A
SCHEMBL4376341 0.59 MAPK14 (0.42) RAB9ANPC1SMN1; SMN2GAAKDM4E
SCHEMBL16507797 0.58 MAPT (0.47) ALDH1A1CYP3A4GAAKDM4EMEN1

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 10 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
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 RAB9A 707/4885NPC1 2619/4885SMN1; SMN2 1433/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 RAB9A 1289/4885NPC1 3053/4885SMN1; 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.