SCHEMBL6699466

SCHEMBL6699466

O=C(O)c1ccc(Cn2cnc3c(c2=O)C=C(C#CCc2ccccc2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.57
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6700063 0.80 MMP13 (0.57) MMP13MEN1TP53PABPC1KMT2A
SCHEMBL6694976 0.77 MMP13 (0.57) MMP13SLC22A8
SCHEMBL6700070 0.74 MMP13 (0.55) MMP13MEN1TP53PABPC1KMT2A
SCHEMBL6302727 0.73 MMP13 (0.75) MMP13
SCHEMBL5697007 0.73 MMP13 (1.00) MMP13SLC22A8
SCHEMBL6703263 0.72 MMP13 (0.65) MMP13SLC22A8
SCHEMBL6698262 0.72 MMP13 (0.57) MMP13MEN1TP53PABPC1KMT2A
SCHEMBL6699874 0.72 MMP13 (0.65) MMP13SLC22A8
SCHEMBL24754468 0.67 SMN1; SMN2 (0.70) MMP13MEN1TP53PABPC1KMT2A
SCHEMBL6501655 0.67 MMP13 (0.54) MMP13MEN1TP53PABPC1KMT2A

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 1 patent. 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

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 MMP13 13/4885MEN1 4003/4885TP53 452/4885

“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.