SCHEMBL6698728

SCHEMBL6698728

O=C(O)c1ccc(CN2C=Nc3oc(C(=O)NCc4ccccc4)cc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.47
ALDH1A1 P00352 2/20 0.44
MMP13 P45452 2/20 0.44
NR1H4 Q96RI1 3/20 0.43
EPHX2 P34913 3/20 0.43
PHGDH O43175 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6700620 0.92 MMP13 (0.44) PTGER4ALDH1A1MMP13EPHX2
SCHEMBL6817791 0.91 KDM4E (0.43) PTGER4ALDH1A1MMP13NR1H4EPHX2
SCHEMBL6817793 0.83 SMN1; SMN2 (0.42) ALDH1A1TP53SMN1; SMN2
SCHEMBL6702239 0.80 MMP13 (0.41) PTGER4ALDH1A1MMP13HPGDSMN1; SMN2
SCHEMBL6700597 0.79 KDM4E (0.50) PTGER4ALDH1A1MMP13NR1H4EPHX2
SCHEMBL6704724 0.75 TP53 (0.50) PTGER4ALDH1A1TP53SMN1; SMN2
SCHEMBL6702617 0.74 MMP13 (0.41) PTGER4ALDH1A1MMP13
SCHEMBL6704242 0.73 PTGER4 (0.36) PTGER4ALDH1A1MMP13
SCHEMBL6700586 0.73 PTGER4 (0.46) PTGER4ALDH1A1MMP13NR1H4EPHX2
SCHEMBL6699803 0.73 PTGER4 (0.48) PTGER4ALDH1A1MMP13NR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 PTGER4 1609/4885ALDH1A1 221/4885MMP13 13/4885

“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.