SCHEMBL21953404

SCHEMBL21953404

O=C(OCOCOC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
SLC6A3 Q01959 2/20 0.67
KMT2A Q03164 2/20 0.67
SLC6A2 P23975 1/20 0.67
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
F2 P00734 1/20 0.56
TSHR P16473 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
SCN1A P35498 1/20 0.49
SCN5A Q14524 1/20 0.49

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
SCHEMBL51601 0.91 TDP1 (0.68) TDP1SLC6A3KMT2ASLC6A2MAPK1
SCHEMBL28875175 0.91 TDP1 (0.68) TDP1SLC6A3KMT2ASLC6A2MAPK1
Propionic Acid SCHEMBL17135255 0.90 LMNA (0.59) TDP1SLC6A3KMT2ASLC6A2MAPK1
SCHEMBL14516200 0.90 TDP1 (0.57) TDP1SLC6A3KMT2ASLC6A2MAPK1
SCHEMBL17146850 0.89 LMNA (0.58) TDP1SLC6A3KMT2ASLC6A2MAPK1
SCHEMBL514789 0.88 TDP1 (0.55) TDP1SLC6A3KMT2ASLC6A2MAPK1
SCHEMBL14500880 0.88 TDP1 (0.55) TDP1SLC6A3KMT2ASLC6A2MAPK1
SCHEMBL14516201 0.88 TDP1 (0.55) TDP1SLC6A3KMT2ASLC6A2MAPK1
SCHEMBL20115287 0.88 LMNA (0.61) TDP1SLC6A3KMT2ASLC6A2MAPK1
SCHEMBL8661138 0.88 TDP1 (0.66) TDP1SLC6A3KMT2ASLC6A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150408-A2 PURIFICATION OF BIS -QUATERNARY PYRIDINIUM OXIMES SOUTHWEST RESEARCH INSTITUTE (US) 2023-08-10 WO disclosed
US-20230242487-A1 PURIFICATION OF BIS-QUATERNARY PYRIDINIUM OXIMES DEFENSE THREAT REDUCTION AGENCY 2023-08-03 US disclosed
US-20230242487-A1 PURIFICATION OF BIS-QUATERNARY PYRIDINIUM OXIMES DEFENSE THREAT REDUCTION AGENCY 2023-08-03 US disclosed
EP-3891129-A1 SYNTHESIS OF OXIME NERVE AGENT ANTIDOTES SOUTHWEST RESEARCH INSTITUTE (US) 2021-10-13 EP disclosed
WO-2020117525-A1 SYNTHESIS OF OXIME NERVE AGENT ANTIDOTES SOUTHWEST RESEARCH INSTITUTE (US) 2020-06-11 WO disclosed
WO-2020117525-A1 SYNTHESIS OF OXIME NERVE AGENT ANTIDOTES SOUTHWEST RESEARCH INSTITUTE (US) 2020-06-11 WO disclosed
US-10633340-B1 Synthesis of oxime nerve agent antidotes SOUTHWEST RESEARCH INSTITUTE (US) 2020-04-28 US 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-10633340-B1 Synthesis of oxime nerve agent antidotes ACHE, BCHE, PNPO TDP1 296/4885SLC6A3 1875/4885KMT2A 1347/4885
US-20230242487-A1 PURIFICATION OF BIS-QUATERNARY PYRIDINIUM OXIMES PNPO, BCHE, PLPBP TDP1 191/4885SLC6A3 2360/4885KMT2A 2103/4885

“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.