SCHEMBL459428

SCHEMBL459428

Cc1ncsc1CCOP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
HPGD P15428 4/20 0.42
TKT P29401 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL6259547 0.79 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAKDM4EMEN1
Pyrophosphoric Acid SCHEMBL5922584 0.79 TDP1 (0.58) LMNACYP2C19TDP1TKT
SCHEMBL5165127 0.79 TDP1 (0.39) LMNATDP1TKT
Phosphoric Acid SCHEMBL459429 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL850696 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAKDM4EMEN1
Iodide SCHEMBL6303658 0.78 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL13176554 0.77 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL891367 0.75 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL9985419 0.75 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL28249445 0.74 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022411-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE BIOSYNTIA APS (DK) 2026-01-22 US claimed
EP-4555076-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE Biosyntia ApS (DK) 2025-05-21 EP claimed
WO-2024013212-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE BIOSYNTIA APS (DK) 2024-01-18 WO 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
US-20240368659-A1 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS BIOSYNTIA APS (DK) 2024-11-07 US disclosed
EP-4370653-A2 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS Biosyntia ApS (DK) 2024-05-22 EP disclosed
CN-117705756-A Terahertz near-field scanning system based on electric control optical sampling and light guide microprobe 天津大学 2024-03-15 CN disclosed
US-11851461-B2 Cell factory having improved iron-sulfur cluster delivery BIOSYNTIA APS (DK) 2023-12-26 US disclosed
US-20230192778-A1 CELL FACTORY HAVING IMPROVED IRON-SULFUR CLUSTER DELIVERY BIOSYNTIA APS (DK) 2023-06-22 US disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
WO-2023285585-A2 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS BIOSYNTIA APS (DK) 2023-01-19 WO disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
EP-1651780-A2 THIAMIN PRODUCTION BY FERMENTATION DSM IP Assets B.V. (NL) 2006-05-03 EP disclosed
EP-1490678-A2 COMPOSITIONS AND METHODS FOR MODELING BACILLUS SUBTILIS METABOLISM Genomatica, Inc. (US) 2004-12-29 EP disclosed
WO-2004106557-A2 THIAMIN PRODUCTION BY FERMENTATION DSM IP ASSETS B.V. (NL) 2004-12-09 WO disclosed
WO-2004099404-A2 BIOINFORMATIC METHOD FOR PREDICTING FUNCTIONAL EQUIVALENCE BETWEEN BIOLOGICAL SEQUENCES EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2004-11-18 WO disclosed
WO-2003081207-A2 COMPOSITIONS AND METHODS FOR MODELING BACILLUS SUBTILIS METABOLISM GENOMATICA, INC. (US) 2003-10-02 WO 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-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 ALDH1A1 486/4885KMT2A 3172/4885LMNA 3872/4885
US-20260022411-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE AHCY, SHMT1, MTHFD1 ALDH1A1 624/4885KMT2A 2677/4885LMNA 4260/4885

“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.