SCHEMBL4564086

SCHEMBL4564086

CCOC(=O)c1csc(NN)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 6/20 0.66
GAA P10253 2/20 0.66
RAB9A P51151 6/20 0.63
NPC1 O15118 5/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
TDP1 Q9NUW8 1/20 0.59
HSP90AA1 P07900 2/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 1/20 0.55
EGFR P00533 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55

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
Bromide SCHEMBL29010966 0.98 CYP1A2 (0.68) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
Bromide SCHEMBL17895414 0.98 CYP1A2 (0.68) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL31374393 0.93 CYP1A2 (0.61) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL1816233 0.86 CYP1A2 (0.71) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL13879960 0.84 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL13098582 0.84 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL1536431 0.84 CYP1A2 (0.69) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL13151287 0.83 CYP1A2 (0.48) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL24248340 0.83 SMN1; SMN2 (0.72) CYP1A2CYP2C19SMN1; SMN2GAARAB9A
SCHEMBL4871149 0.83 CYP1A2 (0.76) CYP1A2CYP2C19SMN1; SMN2GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695242-A1 NOVEL SUBSTITUTED PYRROLE COMPOUNDS, COMPOSITIONS COMPRISING THE SUBSTITUTED PYRROLE COMPOUND, AND METHODS OF USE THEREOF Meta Pharmaceuticals (HK) Limited (HK) 2026-02-18 EP disclosed
EP-3954685-B1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF US HEALTH (US) 2025-08-27 EP disclosed
US-12365653-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2025-07-22 US disclosed
US-20240368087-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2024-11-07 US disclosed
WO-2024212907-A1 NOVEL SUBSTITUTED PYRROLE COMPOUNDS, COMPOSITIONS COMPRISING THE SUBSTITUTED PYRROLE COMPOUND, AND METHODS OF USE THEREOF META PHARMACEUTICALS (HK) LIMITED (CN) 2024-10-17 WO disclosed
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-02-13 US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20230183228-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS PHARMA AG (CH) 2023-06-15 US disclosed
US-20230183228-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS PHARMA AG (CH) 2023-06-15 US disclosed
CN-109996797-B 1H-pyrazol-1-yl-thiazoles as inhibitors of lactate dehydrogenase and methods of use thereof 美国政府健康及人类服务部 2022-07-22 CN disclosed
WO-2016109559-A2 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-07-07 WO disclosed
WO-2016109559-A2 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-07-07 WO disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 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 (6 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 CYP1A2 1465/4885CYP2C19 2254/4885SMN1; SMN2 2461/4885
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 CYP1A2 1957/4885CYP2C19 2878/4885SMN1; SMN2 3199/4885
US-12365653-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 CYP1A2 1957/4885CYP2C19 2878/4885SMN1; SMN2 3199/4885
US-20230183228-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF LDHA, LDHB, XDH CYP1A2 864/4885CYP2C19 799/4885SMN1; SMN2 3180/4885
US-20240368087-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHA1 CYP1A2 1957/4885CYP2C19 2878/4885SMN1; SMN2 3199/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 CYP1A2 1743/4885CYP2C19 668/4885SMN1; SMN2 3025/4885

“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.