SCHEMBL5407898

SCHEMBL5407898

Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+]

nearest known ligand 0.81

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 13)

geneUniProtsupporting neighboursconfidence
P2RY2 known ✓ P41231 4/20 0.66
P2RY4 known ✓ P51582 2/20 0.66
THRB known ✓ P10828 1/20 0.62
P2RY6 known ✓ Q15077 2/20 0.60
TSHR P16473 1/20 0.81
GLA P06280 1/20 0.81
ST6GAL1 P15907 10/20 0.71
LMNA P02545 1/20 0.62
MTOR P42345 1/20 0.62
MDM2 Q00987 1/20 0.62
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
NT5E P21589 1/20 0.57

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
SCHEMBL29356399 1.00 TSHR (0.81) TSHRGLAST6GAL1P2RY2P2RY4
Potassium Ion SCHEMBL10585798 0.99 TSHR (0.80) TSHRGLAST6GAL1P2RY2P2RY4
Cystetine Triphosphate SCHEMBL9101211 0.98 TSHR (0.81) TSHRGLAST6GAL1P2RY2P2RY4
Cystetine Triphosphate SCHEMBL31405617 0.97 TSHR (0.80) TSHRGLAST6GAL1P2RY2P2RY4
Cystetine Triphosphate SCHEMBL10826769 0.97 TSHR (0.80) TSHRGLAST6GAL1P2RY2P2RY4
SCHEMBL11616961 0.94 TSHR (0.78) TSHRGLAST6GAL1P2RY2P2RY4
Cystetine Triphosphate SCHEMBL2194120 0.92 TSHR (0.79) TSHRGLAST6GAL1P2RY2P2RY4
Cystetine Triphosphate SCHEMBL11613107 0.92 TSHR (0.79) TSHRGLAST6GAL1P2RY2P2RY4
Choline SCHEMBL503814 0.92 TSHR (0.81) TSHRGLAST6GAL1P2RY2P2RY4
Cytarabine 5'-Phosphate SCHEMBL859798 0.92 TSHR (0.74) TSHRGLAST6GAL1P2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115613085-A Brush silver-plating alloy plating solution for repairing silver-plated layer of open-type isolating switch and preparation method thereof 国网山东省电力公司电力科学研究院 2023-01-17 CN claimed
CN-101538300-B Salting-out and dissolution crystallization method of citicoline NANJING TECH UNIVERSITY (CN) 2011-11-30 CN claimed
CN-101538300-A Salting-out and dissolution crystallization method of citicoline NANJING UNIVERSITY OF TECHNOLOGY 2009-09-23 CN claimed
CN-101130797-A Ubelin manufacturing technique JIAN ZHANG (CN) 2008-02-27 CN claimed
CN-114099548-B Human neural stem cell preparation and preparation method thereof 领航干细胞再生医学工程有限公司 2023-06-23 CN disclosed
CN-115896217-A Feed supplementing process for improving fermentation level of tulathromycin 内蒙古中牧生物药业有限公司 2023-04-04 CN disclosed
CN-115613085-A Brush silver-plating alloy plating solution for repairing silver-plated layer of open-type isolating switch and preparation method thereof 国网山东省电力公司电力科学研究院 2023-01-17 CN disclosed
CN-115397400-A Sunflower phospholipid composition containing phosphatidylcholine 利珀德有限公司 2022-11-25 CN disclosed
CN-107737339-B Calcium phosphate-biomolecule composite material and preparation method thereof 中国科学院上海硅酸盐研究所 2021-06-15 CN disclosed
CN-101906126-B Method for separating and purifying citicoline by hydrophobic chromatography NANJING UNIVERSITY OF TECHNOLOGY 2012-04-25 CN disclosed
CN-101538300-B Salting-out and dissolution crystallization method of citicoline NANJING TECH UNIVERSITY (CN) 2011-11-30 CN disclosed
CN-101906126-A Method for separating and purifying citicoline by hydrophobic chromatography NANJING UNIVERSITY OF TECHNOLOGY 2010-12-08 CN disclosed
CN-101538300-A Salting-out and dissolution crystallization method of citicoline NANJING UNIVERSITY OF TECHNOLOGY 2009-09-23 CN disclosed
CN-101130797-A Ubelin manufacturing technique JIAN ZHANG (CN) 2008-02-27 CN disclosed
US-7223857-B2 Chain-shortened polynucleotide and method for preparation thereof NIPPON SHINYAKU CO., LTD. (JP) 2007-05-29 US disclosed
EP-1153931-B1 SHORTENED-CHAIN POLYNUCLEOTIDES AND PROCESS FOR THE PREPARATION THEREOF NIPPON SHINYAKU CO LTD (JP) 2005-07-20 EP disclosed
US-20040235044-A1 Chain-shortened polynucleotide and method for preparation thereof MATSUYAMA SHINJI (JP) 2004-11-25 US disclosed
US-6780429-B1 WITH 2'-5' PHOSPHODIESTER BOND CONTENT UP TO 3%; MAINTAINS PHARMACOLOGICAL ACTION WHILE REDUCING TOXICITY NIPPON SHINYAKU CO., LTD. (JP) 2004-08-24 US disclosed
EP-1153931-A1 SHORTENED-CHAIN POLYNUCLEOTIDES AND PROCESS FOR THE PREPARATION THEREOF Nippon Shinyaku Co., Ltd. (JP) 2001-11-14 EP 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-20040235044-A1 Chain-shortened polynucleotide and method for preparation thereof POLN, POLRMT, POLI P2RY2 461/4885P2RY4 416/4885THRB 4339/4885

“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.