SCHEMBL4086682

SCHEMBL4086682

CCOC(=O)c1cccc(Oc2ncccc2C(=O)NCc2ccc(CNC(=O)Cc3ccc(O)cc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.52
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL4459782 0.93 MAPK8 (0.53) MAPK8HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL4082313 0.90 MAPK8 (0.53) MAPK8HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL4082338 0.89 MAPK8 (0.55) MAPK8HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL6904255 0.88 MAPK8 (0.58) MAPK8HPGDLMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6904251 0.87 MAPK8 (0.57) MAPK8HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL8352585 0.84 MAPK8 (0.53) MAPK8HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL6454278 0.84 MAPK8 (0.49) MAPK8HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL4098042 0.82 MAPK8 (0.60) MAPK8HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL5258696 0.82 MAPK8 (0.47) MAPK8HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL7313604 0.79 MAPK8 (0.67) MAPK8HPGDKMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007517820-A 2007-07-05 JP claimed
JP-2007500148-A 2007-01-11 JP claimed
EP-1706118-A1 NEW PHARMACEUTICAL COMPOSITIONS BASED ON A SCOPINEESTER AND NICOTINAMIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2006-10-04 EP claimed
EP-1651222-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-03 EP claimed
EP-1651208-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2006-05-03 EP claimed
WO-2005067929-A1 NEW PHARMACEUTICAL COMPOSITIONS BASED ON A SCOPINEESTER AND NICOTINAMIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-28 WO claimed
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US claimed
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US claimed
WO-2005013967-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO claimed
WO-2005013993-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO claimed
US-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
EP-1476157-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2004-11-17 EP claimed
US-6756392-B2 CARBOCYCLIC SECONDARY AMIDES SUCH AS 2-(4-FLUORO-PHENOXY) -N-(4-((2-HYDROXY-3-METHYL-BENZOYL AMINO)-METHYL)-BENZYL)-NICOTINAMIDE, ADMINISTERED FOR PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS PFIZER INC 2004-06-29 US claimed
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors MAGEE THOMAS V (US) 2003-10-16 US claimed
US-20030191158-A1 Antiinflamamtory agents; antiallergens PFIZER INC. 2003-10-09 US claimed
WO-2003068234-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO claimed
WO-2003068232-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 WO claimed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2003068234-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068232-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 WO 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 (5 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-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE12, PDE3A, PDE3B MAPK8 4158/4885HPGD 464/4885LMNA 3040/4885
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C MAPK8 1524/4885HPGD 32/4885LMNA 1996/4885
US-20030191158-A1 Antiinflamamtory agents; antiallergens NNMT, IL5, HNMT MAPK8 4288/4885HPGD 64/4885LMNA 3345/4885
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE3A, PDE4B, PDE12 MAPK8 3666/4885HPGD 663/4885LMNA 3630/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH MAPK8 2628/4885HPGD 98/4885LMNA 1251/4885

“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.