SCHEMBL6167186

SCHEMBL6167186

COc1cc(C(O)CN(C)C(=O)C=Cc2cccnc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.50
STAT3 P40763 1/20 0.48
CYP1A1 P04798 8/20 0.47
CYP1A2 P05177 8/20 0.47
CYP1B1 Q16678 8/20 0.47
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 2/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
APP P05067 2/20 0.43
TSHR P16473 1/20 0.43
NTSR1 P30989 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
NAMPT P43490 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
SCHEMBL6167179 1.00 PDE4D (0.50) PDE4DSTAT3CYP1A1CYP1A2CYP1B1
SCHEMBL6168708 0.80 CYP1A1 (0.56) STAT3CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL6168714 0.80 CYP1A1 (0.56) STAT3CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL3218730 0.75 APP (0.74) STAT3CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL3218712 0.75 APP (0.74) STAT3CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL6166941 0.72 CYP1A1 (0.53) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6166690 0.72 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6167464 0.72 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6166697 0.72 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6166947 0.72 CYP1A1 (0.53) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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 PDE4D 13/4885STAT3 3046/4885CYP1A1 194/4885

“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.