SCHEMBL9485867

SCHEMBL9485867

CC(CC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(=O)O)C(=O)[O-].CC(CC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(=O)O)C(=O)[O-].[Ca+2]

nearest known ligand 0.74

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.74
▸ FPGS Q05932 2/20 0.73
▸ GART P22102 5/20 0.55
▸ LMNA P02545 1/20 0.51
▸ DHFR P00374 1/20 0.50
▸ ATIC P31939 4/20 0.48
▸ MTHFD1 P11586 1/20 0.48
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 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
Water SCHEMBL9486835 0.99 SOST (0.73) SOSTFPGSGARTLMNADHFR
SCHEMBL7928061 0.95 SOST (0.69) SOSTFPGSGARTLMNADHFR
SCHEMBL50298 0.94 SOST (0.78) SOSTFPGSGARTLMNADHFR
SCHEMBL716106 0.94 SOST (0.78) SOSTFPGSGARTLMNADHFR
SCHEMBL3953439 0.94 SOST (0.78) SOSTFPGSGARTLMNADHFR
SCHEMBL15121249 0.94 SOST (0.78) SOSTFPGSGARTLMNADHFR
SCHEMBL28469783 0.93 SOST (0.77) SOSTFPGSGARTLMNADHFR
SCHEMBL27708884 0.93 SOST (0.77) SOSTFPGSGARTLMNADHFR
SCHEMBL28206357 0.88 SOST (0.79) SOSTFPGSGARTLMNADHFR
SCHEMBL4334665 0.88 SOST (0.76) SOSTFPGSGARTLMNADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250352605-A1 DIETARY SUPPLEMENTS FOR MOOD SUPPORT MELALEUCA INC (US) 2025-11-20 — — US claimed
EP-4516303-A1 COMPOSITION INCLUDING TEUPOLIOSIDE AND INOSITOL IDI Integratori Dietetici Italiani S.r.l. (IT) 2025-03-05 — — EP claimed
CN-113874001-B Vitamin and mineral soft capsule formulation comprising vitamin C in ascorbate form 拜耳消费者护理股份有限公司 2024-05-14 — — CN claimed
CN-113874001-A Vitamin and mineral soft capsule formulation comprising vitamin C in the form of ascorbate 拜耳消费者护理股份有限公司 2021-12-31 — — CN claimed
EP-4518690-B1 A MICRONUTRIENT MIXTURE AND PHARMACEUTICAL COMPOSITION COMPRISING THE MICRONUTRIENT MIXTURE RATH MATTHIAS W (US) 2026-02-04 — — EP disclosed
US-20250352605-A1 DIETARY SUPPLEMENTS FOR MOOD SUPPORT MELALEUCA INC (US) 2025-11-20 — — US disclosed
US-20250352596-A1 DIETARY SUPPLEMENTS FOR MOOD SUPPORT MELALEUCA INC (US) 2025-11-20 — — US disclosed
EP-4518690-A1 A MICRONUTRIENT MIXTURE AND METHOD OF TREATING ESTROGEN RELATED COMPLICATIONS USING THE MICRONUTRIENT MIXTURE Rath, Matthias W. (US) 2025-03-12 — — EP disclosed
EP-4516303-A1 COMPOSITION INCLUDING TEUPOLIOSIDE AND INOSITOL IDI Integratori Dietetici Italiani S.r.l. (IT) 2025-03-05 — — EP disclosed
CN-118844634-A Co-delivery of calcium 5-methyltetrahydrofolate and vitamin D3Double emulsion gel of (2) and preparation method and application thereof 华南农业大学 2024-10-29 — — CN disclosed
CN-113874001-B Vitamin and mineral soft capsule formulation comprising vitamin C in ascorbate form 拜耳消费者护理股份有限公司 2024-05-14 — — CN disclosed
CN-112641788-B Use of 5-methyltetrahydrofolate compositions for improving sleep 连云港金康和信药业有限公司 2024-03-01 — — CN disclosed
CN-112641788-A Application of 5-methyltetrahydrofolic acid composition for improving sleep 连云港金康和信药业有限公司 2021-04-13 — — CN disclosed
CN-112294821-A Application of 5-methyltetrahydrofolic acid and composition thereof 连云港金康和信药业有限公司 2021-02-02 — — CN disclosed
US-10849905-B2 Stable 5-methyltetrahydrofolate formulations to moderate methylenetetrahydrofolate reductase associated polymorphisms LA VITA COMPOUNDING PHARMACY (US) 2020-12-01 — — US disclosed
US-10406159-B2 Stable 5-methyltetrahydrofolate formulations to moderate methylenetetrahydrofolate reductase associated polymorphisms LA VITA COMPOUNDING PHARMACY (US) 2019-09-10 — — US disclosed
US-20180000823-A1 STABLE 5-METHYLTETRAHYDROFOLATE FORMULATIONS TO MODERATE METHYLENETETRAHYDROFOLATE REDUCTASE ASSOCIATED POLYMORPHISMS LA VITA COMPOUNDING PHARMACY LLC 2018-01-04 — — US disclosed
WO-2016123076-A1 STABLE 5-METHYLTRAHYDROFOLATE FORMULATIONS TO MODERATE METHYLENETETRAHYDROFOLATE REDUCTASE ASSOCIATED POLYMORPHISMS LA VITA COMPOUNDING PHARMACY (US) 2016-08-04 — — WO disclosed
US-5223500-A Liver disorders, antitumor, anticarcinogenic agents BIORESEARCH S.P.A. (IT) 1993-06-29 — — US disclosed
US-5124452-A Reduction of folic acid; methylation separation; purification; reducing agent stabilizer BIORESEARCH S.P.A. (IT) 1992-06-23 — — US disclosed
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