SCHEMBL6433480

SCHEMBL6433480

O=C(O)COc1ccc(-c2ccc(CNC(=O)c3cccnc3OC3=COC(Cc4ccccc4)O3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.53
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL5365077 0.88 MAPK8 (0.56) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL5397931 0.86 PDE4A (0.48) MAPK8LMNA
SCHEMBL5358857 0.84 MAPK8 (0.53) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL5362092 0.83 MAPK8 (0.52) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL5361468 0.82 MAPK8 (0.51) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL5364869 0.81 MAPK8 (0.52) MAPK8HPGDLMNAGAA
SCHEMBL5361994 0.81 MAPK8 (0.50) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL5607488 0.81 PDE4A (0.51) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL7530296 0.81 MAPK8 (0.49) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL7525417 0.80 MAPK8 (0.48) MAPK8HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US 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.