SCHEMBL25357459

SCHEMBL25357459

C/N=C(\N)Nc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.71
NOS1 P29475 4/20 0.71
NOS2 P35228 4/20 0.71
ITGB3 P05106 1/20 0.53
ITGAV P06756 1/20 0.53
ITGA2B P08514 1/20 0.53
SLC7A5 Q01650 3/20 0.53
TPH1 P17752 5/20 0.52
PTGS1 P23219 3/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
XIAP P98170 1/20 0.51
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 3/20 0.47
HIF1A Q16665 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ABCB11 O95342 1/20 0.47

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
SCHEMBL25357465 1.00 NOS3 (0.71) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL23097539 0.86 NOS3 (0.54) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL1932906 0.83 SLC7A5 (0.61) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL169646 0.83 SLC7A5 (0.61) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL169645 0.83 SLC7A5 (0.61) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL3059437 0.83 SLC7A5 (0.61) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL4943107 0.83 SLC7A5 (0.61) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL30037334 0.83 SLC7A5 (0.61) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL7240772 0.81 ITGB3 (0.49) NOS3NOS1NOS2ITGB3ITGAV
SCHEMBL180331 0.80 SLC7A5 (0.57) NOS3NOS1NOS2ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US claimed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP NOS3 1214/4885NOS1 1488/4885NOS2 880/4885

“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.