SCHEMBL13416628

SCHEMBL13416628

NC(Cc1ccc(O)cc1)C(=O)OCc1ccc(CON(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.53
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
TAAR1 Q96RJ0 3/20 0.41
SLC6A2 P23975 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
SLC15A1 P46059 1/20 0.39
LTA4H P09960 1/20 0.39
LAP3 P28838 1/20 0.39

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
SCHEMBL8012238 0.89 SLC7A5 (0.65) SLC7A5MEN1KMT2AHDAC8TAAR1
SCHEMBL630209 0.83 SLC7A5 (0.62) SLC7A5MEN1KMT2AHDAC8SLC15A1
SCHEMBL26023571 0.83 SLC7A5 (0.62) SLC7A5MEN1KMT2AHDAC8SLC15A1
SCHEMBL25982889 0.83 SLC7A5 (0.62) SLC7A5MEN1KMT2AHDAC8SLC15A1
SCHEMBL121369 0.83 SLC7A5 (0.62) SLC7A5MEN1KMT2AHDAC8SLC15A1
SCHEMBL13416261 0.83 LTA4H (0.36) SLC7A5MEN1KMT2ASLC6A2SLC15A1
SCHEMBL16080193 0.83 SLC7A5 (0.62) SLC7A5MEN1KMT2AHDAC8SLC15A1
SCHEMBL13407296 0.83 SLC7A5 (0.50) SLC7A5HDAC8TAAR1SLC6A2ESR1
SCHEMBL12562991 0.83 SLC7A5 (0.50) SLC7A5HDAC8TAAR1SLC6A2ESR1
SCHEMBL13416627 0.83 SLC7A5 (0.50) SLC7A5HDAC8TAAR1SLC6A2ESR1

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 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 (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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 SLC7A5 4181/4885MEN1 615/4885KMT2A 4459/4885

“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.