SCHEMBL6166590

SCHEMBL6166590

O=C(O)COc1cccc(CCNC(=O)/C=C/c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.54
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
GSK3B P49841 1/20 0.51
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL6166592 1.00 NAMPT (0.54) NAMPTMMP1MMP2MMP9POLB
SCHEMBL6168462 0.90 ALDH1A1 (0.60) NAMPTMMP1MMP2MMP9POLB
SCHEMBL6168453 0.90 ALDH1A1 (0.60) NAMPTMMP1MMP2MMP9POLB
SCHEMBL7976923 0.89 NAMPT (0.50) NAMPTMMP1MMP2MMP9HPGD
SCHEMBL7976924 0.89 NAMPT (0.50) NAMPTMMP1MMP2MMP9HPGD
SCHEMBL7994511 0.85 NAMPT (0.53) NAMPTMMP1MMP2MMP9POLB
SCHEMBL7994516 0.85 NAMPT (0.53) NAMPTMMP1MMP2MMP9POLB
SCHEMBL7991010 0.82 NAMPT (0.51) NAMPTMMP1MMP2MMP9HPGD
SCHEMBL7991014 0.82 NAMPT (0.51) NAMPTMMP1MMP2MMP9HPGD
SCHEMBL6167752 0.82 MMP1 (0.67) NAMPTMMP1MMP2MMP9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative TSUMURA & CO. (JP) 2005-08-25 US disclosed
EP-1495757-A1 PHOSPHODIESTERASE IV INHIBITOR CONTAINING PYRIDYLACRYLAMIDE DERIVATIVE TSUMURA & CO. (JP) 2005-01-12 EP disclosed
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP 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 (1 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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative PDE3B, PDE3A, PDE2A NAMPT 1019/4885MMP1 61/4885MMP2 82/4885

“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.