SCHEMBL16446881

SCHEMBL16446881

[N-]=[N+]=NCCNC(=O)NCCOC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.44
▸ NOS1 P29475 2/20 0.44
▸ NOS2 P35228 2/20 0.44
▸ IDO1 P14902 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
SCHEMBL16446929 0.84 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL16447078 0.84 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL16447017 0.83 NOS3 (0.42) NOS3NOS1NOS2
SCHEMBL31688850 0.82 NOS2 (0.58) NOS3NOS1NOS2IDO1
SCHEMBL24758850 0.82 MEN1 (0.36) —
SCHEMBL15469219 0.81 NOS3 (0.38) NOS3NOS1NOS2IDO1
SCHEMBL15469217 0.81 CASR (0.37) —
SCHEMBL20192884 0.79 NOS3 (0.44) NOS3NOS1NOS2IDO1
SCHEMBL23566825 0.79 NOS2 (0.55) NOS3NOS1NOS2IDO1
SCHEMBL23566826 0.79 NOS2 (0.55) NOS3NOS1NOS2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 — — EP disclosed
US-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 — — US disclosed
US-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 — — US disclosed
US-20160176811-A1 Amino Acid Derivatives ALLOZYNE, INC. 2016-06-23 — — US disclosed
US-20160176811-A1 Amino Acid Derivatives ALLOZYNE, INC. 2016-06-23 — — US disclosed
EP-3030545-A2 AMINO ACID DERIVATIVES Medimmune Limited (GB) 2016-06-15 — — EP disclosed
WO-2015019192-A2 AMINO ACID DERIVATIVES MEDIMMUNE LIMITED (GB) 2015-02-12 — — 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-20160176811-A1 Amino Acid Derivatives BCAT2, BCAT1, DAO NOS3 2449/4885NOS1 3381/4885NOS2 3197/4885

“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.

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