SCHEMBL17972777

SCHEMBL17972777

O=CN(CCNC(=O)OCc1ccccc1)CCNC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HTT P42858 1/20 0.58
TGM2 P21980 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
MAPT P10636 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
IDO1 P14902 2/20 0.47
KAT2B Q92831 1/20 0.46
GAA P10253 1/20 0.46
TDO2 P48775 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL25962487 0.86 LMNA (0.58) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13055383 0.82 LMNA (0.80) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL14772158 0.82 LMNA (0.65) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL19763216 0.82 LMNA (0.65) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL5019074 0.81 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL736590 0.80 LMNA (0.67) LMNASMN1; SMN2HTTTGM2L3MBTL1
Hydrochloric Acid SCHEMBL4506331 0.80 LMNA (0.71) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL707687 0.80 LMNA (0.71) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL23871966 0.79 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL7159271 0.79 HTT (0.62) LMNASMN1; SMN2HTTTGM2L3MBTL1

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-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 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-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 LMNA 3243/4885SMN1; SMN2 3304/4885HTT 312/4885

“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.