SCHEMBL16447017

SCHEMBL16447017

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.42
▸ NOS1 P29475 2/20 0.42
▸ NOS2 P35228 2/20 0.42
▸ OTC P00480 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ P2RY10 O00398 2/20 0.33
▸ GPR174 Q9BXC1 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ ALB P02768 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HPSE Q9Y251 2/20 0.31
▸ TLR2 O60603 2/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL16446881 0.83 NOS3 (0.44) NOS3NOS1NOS2
SCHEMBL20192734 0.81 NOS3 (0.41) NOS3NOS1NOS2OTCSMN1; SMN2
SCHEMBL16447078 0.81 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL16447237 0.80 NOD1 (0.49) NOS3NOS1NOS2OTCNOD1
SCHEMBL24610028 0.79 OTC (0.44) NOS2OTCNOD1TSHRDDAH1
SCHEMBL15469244 0.79 OTC (0.44) NOS2OTCNOD1TSHRDDAH1
SCHEMBL31688850 0.79 NOS2 (0.58) NOS3NOS1NOS2P2RY10TSHR
SCHEMBL20871341 0.79 NOS2 (0.43) NOS3NOS1NOS2OTCNOD1
SCHEMBL15469219 0.78 NOS3 (0.38) NOS3NOS1NOS2OTCDDAH1
SCHEMBL16447245 0.77 NOS2 (0.46) NOS3NOS1NOS2OTCNOD1

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.

Send feedback