SCHEMBL6168708

SCHEMBL6168708

COc1cc(C(=O)CN(C)C(=O)/C=C/c2cccnc2)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.56
CYP1A2 P05177 10/20 0.56
CYP1B1 Q16678 10/20 0.56
ALOX5 P09917 1/20 0.49
NFKB1 P19838 1/20 0.49
STAT3 P40763 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
APP P05067 1/20 0.44
NTSR1 P30989 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 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
SCHEMBL6168714 1.00 CYP1A1 (0.56) CYP1A1CYP1A2CYP1B1ALOX5NFKB1
SCHEMBL6167464 0.92 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6167454 0.92 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6168030 0.82 CYP1A1 (0.62) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6168042 0.82 CYP1A1 (0.62) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6168034 0.82 CYP1A1 (0.62) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6166726 0.82 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6166719 0.82 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL6167186 0.80 PDE4D (0.50) CYP1A1CYP1A2CYP1B1NFKB1STAT3
SCHEMBL6167179 0.80 PDE4D (0.50) CYP1A1CYP1A2CYP1B1NFKB1STAT3

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 CYP1A1 194/4885CYP1A2 125/4885CYP1B1 120/4885

“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.