SCHEMBL29824834

SCHEMBL29824834

NNC(N)=NCCC[C@H](N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 9/20 0.68
▸ CYP2C19 P33261 3/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ TSHR P16473 2/20 0.68
▸ GLA P06280 1/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ APEX1 P27695 1/20 0.68
▸ NOS1 P29475 9/20 0.64
▸ NOS3 P29474 5/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ DDAH1 O94760 6/20 0.60
▸ THPO P40225 1/20 0.58
▸ CYP3A4 P08684 1/20 0.57
▸ BLM P54132 1/20 0.56

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
Tilarginine SCHEMBL23099403 0.86 NOS1 (0.69) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL1736698 0.86 NOS2 (0.68) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL1736695 0.86 NOS2 (0.68) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL29364827 0.83 NOS2 (0.64) NOS2CYP2C19CYP1A2TSHRGLA
Acetic Acid SCHEMBL29386173 0.81 NOS2 (0.68) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL43261 0.81 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL30679324 0.81 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL288993 0.81 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL288835 0.81 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA
Arginine SCHEMBL30577923 0.81 NOS2 (1.00) NOS2CYP2C19CYP1A2TSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277592-A1 TOPICAL COMPOSITION Liliger Ltd (IL) 2023-11-22 — — EP claimed
CN-115192564-A Phenylalanine derivative, pharmaceutical composition and application of phenylalanine derivative and pharmaceutical composition in tumor treatment 四川大学华西医院 2022-10-18 — — CN claimed
WO-2022153308-A1 TOPICAL COMPOSITION RICH PSC LTD. (IL) 2022-07-21 — — WO claimed
WO-2026099761-A1 PEPTIDES SALEM YAHYA AHMED (EG) 2026-05-15 — — WO disclosed
EP-4734770-A1 COMPOUNDS THAT MODULATE GPRC6A RECEPTOR AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2026-05-06 — — EP disclosed
WO-2025006362-A1 COMPOUNDS THAT MODULATE GPRC6A RECEPTOR AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2025-01-02 — — WO disclosed
EP-4277592-A1 TOPICAL COMPOSITION Liliger Ltd (IL) 2023-11-22 — — EP disclosed
CN-115192564-B Phenylalanine derivative, pharmaceutical composition and application thereof in tumor treatment 四川大学华西医院 2023-11-17 — — CN disclosed
US-20230355500-A1 TOPICAL COMPOSITION LILIGER LTD (IL) 2023-11-09 — — US disclosed
CN-115192564-A Phenylalanine derivative, pharmaceutical composition and application of phenylalanine derivative and pharmaceutical composition in tumor treatment 四川大学华西医院 2022-10-18 — — CN disclosed
WO-2022153308-A1 TOPICAL COMPOSITION RICH PSC LTD. (IL) 2022-07-21 — — 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-20230355500-A1 TOPICAL COMPOSITION NOS1, NOS3, NOS2 NOS2 3/4885CYP2C19 1848/4885CYP1A2 1680/4885

“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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