SCHEMBL5608880

SCHEMBL5608880

O=C(O)COc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3ccc4nonc4c3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.55
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.48
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 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
SCHEMBL5608092 0.88 MAPK8 (0.55) MAPK8HPGDLMNASMN1; SMN2GAA
SCHEMBL4825735 0.84 MAPK8 (0.55) MAPK8HPGDLMNASMN1; SMN2ADORA3
SCHEMBL6433473 0.83 PDE4A (0.59) MAPK8HPGDGAA
SCHEMBL5359759 0.83 MAPK8 (0.54) MAPK8HPGDLMNASMN1; SMN2GAA
SCHEMBL6850749 0.83 PDE4A (0.57) MAPK8HPGDLMNASMN1; SMN2GAA
SCHEMBL5405985 0.83 MAPK8 (0.54) MAPK8HPGDLMNASMN1; SMN2GAA
SCHEMBL4825983 0.83 MAPK8 (0.53) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL4826009 0.83 MAPK8 (0.53) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL5395704 0.82 GAA (0.46) MAPK8GAA
SCHEMBL6438916 0.82 MAPK8 (0.56) MAPK8HPGDLMNASMN1; SMN2GAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007517820-A 2007-07-05 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
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US 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-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US claimed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP claimed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US claimed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
EP-1706118-A1 NEW PHARMACEUTICAL COMPOSITIONS BASED ON A SCOPINEESTER AND NICOTINAMIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2006-10-04 EP disclosed
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US disclosed
WO-2005067929-A1 NEW PHARMACEUTICAL COMPOSITIONS BASED ON A SCOPINEESTER AND NICOTINAMIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-28 WO disclosed
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US disclosed
US-6649633-B2 For treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-11-18 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 (3 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-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAPK8 3111/4885HPGD 302/4885LMNA 1376/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH MAPK8 2628/4885HPGD 98/4885LMNA 1251/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAPK8 3287/4885HPGD 262/4885LMNA 1245/4885

“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.