SCHEMBL3853209

SCHEMBL3853209

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.77
ALDH1A1 P00352 2/20 0.77
TP53 P04637 1/20 0.77
MAPT P10636 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
PRKAB2 O43741 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PRKAG3 Q9UGI9 1/20 0.63
PRKAG2 Q9UGJ0 1/20 0.63
PRKAB1 Q9Y478 1/20 0.63
ACHE P22303 4/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TYMP P19971 1/20 0.47
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44

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
SCHEMBL3163131 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13264312 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL6887845 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14075781 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14030780 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL10001661 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14088746 1.00 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL6363723 0.95 LMNA (0.70) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL20705942 0.93 LMNA (0.67) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL471152 0.92 LMNA (0.66) LMNAALDH1A1TP53MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57171998-A None JP disclosed
US-20220152077-A1 ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF WARWICK (GB) 2022-05-19 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20120202287-A1 Stem Cell Culture Methods ITI SCOTLAND LIMITED (GB) 2012-08-09 US disclosed
US-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION UNIVERSIDAD NACIONAL DE QUILMES (AR) 2009-12-31 US disclosed
US-7579162-B2 Method of detection in homogeneous phase, especially of progesterone in mammals' milk, and corresponding kit CEVA SANTE ANIMALE (FR) 2009-08-25 US disclosed
US-20070042449-A1 Method of detection in homogeneous phase, especially of progesterone in mammals' milk, and corresponding kit CEVA SANTE ANIMALE (FR) 2007-02-22 US disclosed
US-7026478-B2 Iron catalyzed cross coupling reactions of aromatic compounds STUDIENGESELLSCHAFT KOHLE MBH (DE) 2006-04-11 US disclosed
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 US disclosed
US-20030220498-A1 Iron catalyzed cross coupling reactions of aromatic compounds STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-11-27 US disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
WO-2000075158-A2 NOVEL 6-PHENYLPURINE 9-β-D-RIBONUCLEOSIDES WITH ANTINEOPLASTIC ACTIVITY, THEIR USE FOR PREPARING PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL PREPARATIONS CONTAINING SUCH COMPOUNDS ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VĚD ČESKÉ REPUBLIKY (CZ) 2000-12-14 WO disclosed
EP-0458519-A2 Synthesis of nucleotide and nucleoside derivatives EFAMOL HOLDINGS PLC (GB) 1991-11-27 EP disclosed
US-4992535-A Cardiovascular disorders; side effect reduction G. D. SEARLE & CO. (US) 1991-02-12 US disclosed
EP-0368071-A1 Methods of making novel R and S diastereomers of N6-[(2-hydroxypropyl)aryl]adenosines G.D. Searle & Co. (US) 1990-05-16 EP disclosed
EP-0180614-B1 N-6 SUBSTITUTED ADENOSINE DERIVATIVES AS CARDIAC VASODILATORS Whitby Research Incorporated (US) 1990-03-07 EP disclosed
US-4464361-A Adenosine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 US disclosed
JP-S57171998-A ADENOSINE DERIVATIVE AND ITS SALT, PREPARATION THEREOF AND MEDICINAL COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUT CO LTD 1982-10-22 JP disclosed
EP-0062921-A1 Adenosine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-10-20 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 (7 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 LMNA 4330/4885ALDH1A1 596/4885TP53 3695/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 LMNA 4330/4885ALDH1A1 596/4885TP53 3695/4885
US-20120202287-A1 Stem Cell Culture Methods KIT, SOX18, MCL1 LMNA 2410/4885ALDH1A1 20/4885TP53 1116/4885
US-20030220498-A1 Iron catalyzed cross coupling reactions of aromatic compounds ARRB1, RBX1, CYP4X1 LMNA 3128/4885ALDH1A1 285/4885TP53 3018/4885
US-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION RHOA, ARHGDIA, ARHGDIB LMNA 4307/4885ALDH1A1 4493/4885TP53 1708/4885
US-20220152077-A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 LMNA 2249/4885ALDH1A1 281/4885TP53 4853/4885
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B LMNA 1004/4885ALDH1A1 3802/4885TP53 4344/4885

“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.