SCHEMBL851328

SCHEMBL851328

Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(N)n1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
TKT P29401 5/20 0.56
TDP1 Q9NUW8 2/20 0.47
ESR1 P03372 1/20 0.39
PTGS1 P23219 1/20 0.39
ACP1 P24666 1/20 0.39
PDE4A P27815 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
PPP5C P53041 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4D Q08499 1/20 0.39
PNPO Q9NVS9 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
SCHEMBL3371360 0.88 LMNA (0.61) LMNATKTTDP1ESR1PTGS1
Pyrophosphoric Acid SCHEMBL851327 0.81 LMNA (0.51) LMNATKTTDP1
SCHEMBL5916304 0.80 LMNA (0.50) LMNATKTTDP1CYP3A4CYP2C19
SCHEMBL29727609 0.76 LMNA (0.68) LMNATKTTDP1
Phosphoric Acid SCHEMBL851329 0.74 LMNA (0.53) LMNATKTTDP1
SCHEMBL849877 0.74 LMNA (0.53) LMNATKTTDP1
Phosphoric Acid SCHEMBL1533803 0.74 LMNA (0.53) LMNATKTTDP1
Cocarboxylase SCHEMBL30192281 0.74 LMNA (1.00) LMNATKTTDP1PPP5C
Cocarboxylase SCHEMBL80028 0.74 LMNA (1.00) LMNATKTTDP1PPP5C
Hydrochloric Acid SCHEMBL7907624 0.73 TKT (0.54) LMNATKTTDP1PPP5CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119731312-A Microbial cell factory for producing thiamine 拜奥信尼亚私营有限责任公司 2025-03-28 CN claimed
CN-117897476-A Microbial cell factory for producing vitamin B compounds 拜奥信尼亚私营有限责任公司 2024-04-16 CN claimed
US-20040006040-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor PYRO PHARMACEUTICALS, INC. 2004-01-08 US claimed
EP-1093520-A1 HMP-P KINASE AND TMP-PPASE FROM ARABIDOPSIS THALIANA AND THEIR USE IN HERBICIDE SCREENING Syngenta Participations AG (CH) 2001-04-25 EP claimed
WO-2000000623-A1 HMP-P KINASE AND TMP-PPASE FROM ARABIDOPSIS THALIANA AND THEIR USE IN HERBICIDE SCREENING SYNGENTA PARTICIPATIONS AG (CH) 2000-01-06 WO claimed
CN-119731312-A Microbial cell factory for producing thiamine 拜奥信尼亚私营有限责任公司 2025-03-28 CN disclosed
CN-117897476-A Microbial cell factory for producing vitamin B compounds 拜奥信尼亚私营有限责任公司 2024-04-16 CN disclosed
EP-2463654-B1 Compositions and methods for modeling saccharomyces cerevisiae metabolism UNIV CALIFORNIA (US) 2020-06-03 EP disclosed
US-20150218597-A1 USE OF THIAMINE AND NICOTINE ADENINE DINUCLEOTIDE FOR BUTANOL PRODUCTION BUTAMAX ADVANCED BIOFUELS LLC (US) 2015-08-06 US disclosed
US-9012190-B2 Use of thiamine and nicotine adenine dinucleotide for butanol production BUTAMAX ADVANCED BIOFUELS LLC (US) 2015-04-21 US disclosed
US-20120323047-A1 USE OF THIAMINE AND NICOTINE ADENINE DINUCLEOTIDE FOR BUTANOL PRODUCTION BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2012-12-20 US disclosed
US-8311790-B2 Reverse engineering genome-scale metabolic network reconstructions for organisms with incomplete genome annotation and developing constraints using proton flux states and numerically-determined sub-systems UNIVERSITY OF DELAWARE (US) 2012-11-13 US disclosed
US-20060094075-A1 Methods for indentifying compounds that modulate an enzyme in the coenzyme a biosynthetic pathway in a pathogenic microoganism SCHECHTER ALAN M 2006-05-04 US disclosed
US-20060063224-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway SCHECHTER ALAN M 2006-03-23 US disclosed
US-6955890-B2 Method for the identification and treatment of pathogenic microorganisms infections by inhibiting one or more enzymes in an essential metabolic pathway PYRO PHARMACEUTICALS, INC. (US) 2005-10-18 US disclosed
US-20040006040-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor PYRO PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030180830-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway PYRO PHARMACEUTICALS, INC. 2003-09-25 US disclosed
EP-1093520-A1 HMP-P KINASE AND TMP-PPASE FROM ARABIDOPSIS THALIANA AND THEIR USE IN HERBICIDE SCREENING Syngenta Participations AG (CH) 2001-04-25 EP disclosed
EP-1059354-A2 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby Ceres Incorporated (US) 2000-12-13 EP disclosed
WO-2000000623-A1 HMP-P KINASE AND TMP-PPASE FROM ARABIDOPSIS THALIANA AND THEIR USE IN HERBICIDE SCREENING SYNGENTA PARTICIPATIONS AG (CH) 2000-01-06 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 (2 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-20060094075-A1 Methods for indentifying compounds that modulate an enzyme in the coenzyme a biosynthetic pathway in a pathogenic microoganism COASY, BPGM, ME1 LMNA 3658/4885TKT 233/4885TDP1 3203/4885
US-20040006040-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor CYP51A1, ME1, BPGM LMNA 3872/4885TKT 24/4885TDP1 3936/4885

“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.