SCHEMBL6288901

SCHEMBL6288901

CN1C(=O)N(Cc2ccc(C(=O)O)cc2)Cc2sc(C(=O)NCc3ccncc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.43
SCD O00767 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 1/20 0.40
NAMPT P43490 1/20 0.39
PIK3CA P42336 1/20 0.39
GAA P10253 2/20 0.38
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
PTGER4 P35408 1/20 0.38
PHGDH O43175 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 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
SCHEMBL6289016 0.75 SCD (0.43) MMP13SCDMEN1KMT2ASMN1; SMN2
SCHEMBL6728256 0.73 TRPA1 (0.56) MMP13SMN1; SMN2ALDH1A1TRPA1PIK3CA
SCHEMBL6706798 0.73 MAPT (0.55) MMP13SMN1; SMN2NR1H4PTGER4
SCHEMBL6288755 0.72 TP53 (0.45) MMP13SMN1; SMN2ALDH1A1EPHX2NR1H4
SCHEMBL6702248 0.72 MMP13 (0.43) MMP13KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6292726 0.70 MMP13 (0.46) MMP13KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6706820 0.70 MMP13 (0.57) MMP13MEN1KMT2AALDH1A1PTGER4
SCHEMBL6698886 0.70 MMP13 (0.51) MMP13TRPA1EPHX2NR1H4PTGER4
SCHEMBL6694914 0.69 MMP13 (0.39) MMP13SCDMEN1KMT2ASMN1; SMN2
SCHEMBL6432931 0.69 MMP13 (0.55) MMP13KDM4ESMN1; SMN2ALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US claimed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 (2 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 9/4885SCD 1414/4885KDM4E 1792/4885
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885SCD 2142/4885KDM4E 1991/4885

“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.