SCHEMBL15618245

SCHEMBL15618245

[N-]=[N+]=NCCC(=O)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.51
▸ NOD1 Q9Y239 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ DDAH1 O94760 4/20 0.42
▸ GSR P00390 1/20 0.41
▸ NOS2 P35228 6/20 0.41
▸ NOS1 P29475 5/20 0.41
▸ NOS3 P29474 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL15483719 0.93 OTC (0.50) OTCNOD1TDP1DDAH1GSR
SCHEMBL15618211 0.92 OTC (0.49) OTCNOD1TDP1DDAH1GSR
SCHEMBL16447237 0.87 NOD1 (0.49) OTCNOD1TDP1DDAH1GSR
SCHEMBL13445977 0.87 OTC (0.52) OTCNOD1DDAH1GSRNOS2
SCHEMBL13464207 0.87 OTC (0.52) OTCNOD1DDAH1GSRNOS2
SCHEMBL22691090 0.87 OTC (0.52) OTCNOD1DDAH1GSRNOS2
SCHEMBL16446596 0.84 OTC (0.46) OTCDDAH1GSRNOS2NOS1
SCHEMBL20178595 0.84 OTC (0.46) OTCDDAH1GSRNOS2NOS1
SCHEMBL24610028 0.84 OTC (0.44) OTCNOD1DDAH1GSRNOS2
SCHEMBL15469244 0.84 OTC (0.44) OTCNOD1DDAH1GSRNOS2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105026574-B Cell lines 米迪缪尼有限公司 2019-08-30 — — CN disclosed
US-10253345-B2 Cell lines MEDIMMUNE LIMITED (GB) 2019-04-09 — — US disclosed
US-10253345-B2 Cell lines MEDIMMUNE LIMITED (GB) 2019-04-09 — — US disclosed
EP-2898085-B1 CELL LINES MEDIMMUNE LTD (GB) 2019-01-23 — — EP disclosed
EP-2898085-B1 CELL LINES MEDIMMUNE LTD (GB) 2019-01-23 — — EP disclosed
US-20170306381-A1 CELL LINES ALLOZYNE, INC. 2017-10-26 — — US disclosed
US-20170306381-A1 CELL LINES ALLOZYNE, INC. 2017-10-26 — — US disclosed
US-20170306380-A1 AMINO ACID DERIVATIVES MEDIMMUNE LIMITED (GB) 2017-10-26 — — US disclosed
CN-104812734-B Amino acid derivatives 米迪缪尼有限公司 2017-08-22 — — CN disclosed
US-9732367-B2 Cell lines MEDIMMUNE LIMITED (GB) 2017-08-15 — — US disclosed
US-20150259721-A1 CELL LINES ALLOZYNE, INC. 2015-09-17 — — US disclosed
US-20150259721-A1 CELL LINES ALLOZYNE, INC. 2015-09-17 — — US disclosed
US-20150251994-A1 AMINO ACID DERIVATIVES ALLOZYNE, INC. 2015-09-10 — — US disclosed
US-20150251994-A1 AMINO ACID DERIVATIVES ALLOZYNE, INC. 2015-09-10 — — US disclosed
EP-2897935-A1 AMINO ACID DERIVATIVES MedImmune Limited (GB) 2015-07-29 — — EP disclosed
EP-2898085-A1 CELL LINES MedImmune Limited (GB) 2015-07-29 — — EP disclosed
CN-104812734-A Amino acid derivatives ALLOZYNE INC 2015-07-29 — — CN disclosed
WO-2014044873-A1 AMINO ACID DERIVATIVES ALLOZYNE, INC (US) 2014-03-27 — — WO disclosed
WO-2014044872-A1 CELL LINES ALLOZYNE, INC (US) 2014-03-27 — — WO disclosed
WO-2014044872-A1 CELL LINES ALLOZYNE, INC (US) 2014-03-27 — — 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 (5 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-20150259721-A1 CELL LINES AARS1, LARS1, IARS1 OTC 2174/4885NOD1 4279/4885TDP1 863/4885
US-10253345-B2 Cell lines AARS1, LARS1, IARS1 OTC 2174/4885NOD1 4279/4885TDP1 863/4885
US-20150251994-A1 AMINO ACID DERIVATIVES BCAT2, DNPEP, BCAT1 OTC 2216/4885NOD1 4417/4885TDP1 4070/4885
US-20170306381-A1 CELL LINES AARS1, LARS1, IARS1 OTC 2174/4885NOD1 4279/4885TDP1 863/4885
US-20170306380-A1 AMINO ACID DERIVATIVES BCAT2, DNPEP, BCAT1 OTC 2216/4885NOD1 4417/4885TDP1 4070/4885

“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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