SCHEMBL6704154

SCHEMBL6704154

O=C(O)c1ccc(CN2C=Nc3sc(C#CCc4ccccc4)nc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.39
PTGER4 P35408 5/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GLS O94925 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GAA P10253 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.33
HDAC4 P56524 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL6703987 0.82 CLPP (0.37) ALDH1A1
SCHEMBL6700337 0.80 MMP13 (0.41) MMP13PTGER4SLC22A8LMNAHPGD
SCHEMBL6699803 0.79 PTGER4 (0.48) MMP13PTGER4ALDH1A1MAPK1
SCHEMBL6703233 0.78 MMP13 (0.39) MMP13PTGER4SLC22A8ALDH1A1SLC6A3
SCHEMBL6699559 0.75 MAPT (0.37) LMNAHPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL6818741 0.74 MMP13 (0.44) MMP13PTGER4MAPT
SCHEMBL6818720 0.73 PTGER4 (0.50) MMP13PTGER4SMN1; SMN2MAPT
SCHEMBL6702239 0.72 MMP13 (0.41) MMP13PTGER4SLC22A8HPGDALDH1A1
SCHEMBL6697998 0.71 MMP13 (0.45) MMP13PTGER4ALDH1A1RAB9AKDM4E
SCHEMBL6700597 0.69 KDM4E (0.50) MMP13PTGER4ALDH1A1KDM4ESMN1; SMN2

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 13/4885PTGER4 1609/4885SLC22A8 2959/4885

“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.