SCHEMBL21669657

SCHEMBL21669657

COC(=O)c1cn(CCOCCOCCOCCN=[N+]=[N-])nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
MGMT P16455 1/20 0.41
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
GLA P06280 1/20 0.36
FSHR P23945 2/20 0.36
LHCGR P22888 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34

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
SCHEMBL20047063 0.86 MGMT (0.43) MMP2MMP9MMP8MMP13OPRM1
SCHEMBL21669658 0.81 MGAM (0.41) MMP2MMP9MMP8MMP13MGAM
SCHEMBL24841212 0.81 MAPT (0.46) MGAMGAASIMGAM2GLA
SCHEMBL18858993 0.78 MGMT (0.47) MMP2MMP9MMP8MMP13OPRM1
SCHEMBL15905756 0.77 OPRM1 (0.40) MMP2MMP9MMP8MMP13OPRM1
SCHEMBL27017059 0.77 MGMT (0.45) MMP2MMP9MMP8MMP13OPRM1
SCHEMBL30162890 0.76 MGAM (0.38) MGAMGAASIMGAM2GLA
SCHEMBL20046973 0.76 MMP2 (0.47) MMP2MMP9MMP8MMP13OPRM1
SCHEMBL24569987 0.75 MGMT (0.44) MMP2MMP9MMP8MMP13OPRM1
SCHEMBL21643814 0.75 OPRM1 (0.41) MMP2MMP9MMP8MMP13OPRM1

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-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2020-02-06 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-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SLC10A1, SLCO1B3, SLC5A1 MMP2 2769/4885MMP9 1131/4885MMP8 2013/4885

“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.