SCHEMBL4475385

SCHEMBL4475385

O=c1cc(OCc2cccc3ccccc23)ccn1Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.70
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
MCHR1 Q99705 2/20 0.45
PARP10 Q53GL7 2/20 0.44
PARP15 Q460N3 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
SCHEMBL4389957 0.84 MAPK14 (0.75) MAPK14NPC1RAB9AMCHR1
SCHEMBL2177074 0.83 MAPK14 (1.00) MAPK14MCHR1
SCHEMBL3518401 0.80 HTT (0.46) MAPK14NPC1RAB9AFFAR1AKR1B1
SCHEMBL4384854 0.79 MAPK14 (0.80) MAPK14MCHR1
SCHEMBL4466841 0.79 MAPK14 (0.75) MAPK14MCHR1
SCHEMBL2175948 0.78 MAPK14 (0.82) MAPK14MCHR1
SCHEMBL2176064 0.78 MAPK14 (0.78) MAPK14MCHR1
SCHEMBL2176073 0.77 MAPK14 (0.86) MAPK14MCHR1
SCHEMBL4480114 0.76 MAPK14 (0.84) MAPK14MCHR1
SCHEMBL4468505 0.76 MAPK14 (0.84) MAPK14NPC1MCHR1

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 41/4885NPC1 2619/4885RAB9A 707/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885NPC1 3053/4885RAB9A 1289/4885

“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.