SCHEMBL6167752

SCHEMBL6167752

O=C(/C=C/c1cccnc1)NCCc1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.67
MMP2 P08253 4/20 0.67
MMP9 P14780 4/20 0.67
NAMPT P43490 10/20 0.58
USP2 O75604 1/20 0.56
HDAC3 O15379 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL6167756 1.00 MMP1 (0.67) MMP1MMP2MMP9NAMPTUSP2
SCHEMBL6168453 0.84 ALDH1A1 (0.60) MMP1MMP2MMP9NAMPTPOLB
SCHEMBL6168462 0.84 ALDH1A1 (0.60) MMP1MMP2MMP9NAMPTPOLB
SCHEMBL7994511 0.83 NAMPT (0.53) MMP1MMP2MMP9NAMPTHDAC3
SCHEMBL7994516 0.83 NAMPT (0.53) MMP1MMP2MMP9NAMPTHDAC3
SCHEMBL6166592 0.82 NAMPT (0.54) MMP1MMP2MMP9NAMPTHDAC3
SCHEMBL6166590 0.82 NAMPT (0.54) MMP1MMP2MMP9NAMPTHDAC3
SCHEMBL29186139 0.81 MMP1 (0.58) MMP1MMP2MMP9NAMPTHDAC3
SCHEMBL30866126 0.81 MMP1 (0.58) MMP1MMP2MMP9NAMPTHDAC3
SCHEMBL7991010 0.80 NAMPT (0.51) MMP1MMP2MMP9NAMPTHDAC3

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 MMP1 61/4885MMP2 82/4885MMP9 113/4885

“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.