SCHEMBL16285773

SCHEMBL16285773

CN(CC(=O)O)NC(=O)C[C@@H](N)CN

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
BHMT Q93088 1/20 0.30

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
SCHEMBL16279005 0.87 GABRR1 (0.32) KDM7APHF8KDM2AGABRR1BHMT
SCHEMBL16279002 0.87 GABRR1 (0.32) KDM7APHF8KDM2AGABRR1BHMT
SCHEMBL25466927 0.86 CACNA2D1 (0.30) CACNA2D1CACNB3CACNA1CPGRADRA1A
Negamycin SCHEMBL21578042 0.86 GABRR1 (0.38) GABRR1LMNACACNA2D1CACNB3CACNA1C
Negamycin SCHEMBL1650147 0.86 GABRR1 (0.38) GABRR1LMNACACNA2D1CACNB3CACNA1C
SCHEMBL24176384 0.86 CACNA2D1 (0.30) CACNA2D1CACNB3CACNA1CPGRADRA1A
Negamycin SCHEMBL564074 0.86 GABRR1 (0.38) GABRR1LMNACACNA2D1CACNB3CACNA1C
SCHEMBL7123600 0.85
SCHEMBL7116470 0.85
SCHEMBL21577901 0.84 GSR (0.33) BHMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371274-B2 Compound having read-through activity THE UNIVERSITY OF TOKYO (JP) 2016-06-21 US disclosed
US-9371274-B2 Compound having read-through activity THE UNIVERSITY OF TOKYO (JP) 2016-06-21 US disclosed
US-20140364642-A1 COMPOUND HAVING READ-THROUGH ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2014-12-11 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-20140364642-A1 COMPOUND HAVING READ-THROUGH ACTIVITY UPF1, NUDT21, GBA2 KDM7A 2353/4885PHF8 2672/4885KDM2A 2942/4885

“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.