SCHEMBL2596763

SCHEMBL2596763

CC(C)OP(C)(=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ VDR P11473 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19341904 0.86 GAA (0.46) ALDH1A1KMT2AGAACASP3VDR
SCHEMBL15086925 0.74 GAA (0.44) ALDH1A1KMT2AGAAVDRKDM4E
SCHEMBL19341908 0.74 GAA (0.48) ALDH1A1KMT2AGAACASP3VDR
SCHEMBL2078111 0.72 KMT2A (0.49) ALDH1A1KMT2AGAACASP3VDR
SCHEMBL19341894 0.68 ALDH1A1 (0.44) ALDH1A1KMT2AL3MBTL1GAAVDR
SCHEMBL19341891 0.68 ELANE (0.45) ALDH1A1KMT2AL3MBTL1GAAVDR
SCHEMBL19341893 0.68 GAA (0.43) ALDH1A1L3MBTL1GAAVDRKDM4E
SCHEMBL3289289 0.66 ALDH1A1 (0.50) ALDH1A1KMT2AGAACASP3VDR
SCHEMBL11563803 0.66 GAA (0.44) ALDH1A1KMT2AGAAVDRKDM4E
SCHEMBL19351874 0.66 GAA (0.44) ALDH1A1KMT2AGAACASP3VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568807-B1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING UNIV MISSISSIPPI STATE (US) 2018-07-11 — — EP disclosed
US-20170258774-A1 NOVEL OXIMES FOR REACTIVATING BUTYRYLCHOLINESTERASE MISSISSIPPI STATE UNIVERSITY (US) 2017-09-14 — — US disclosed
US-9227937-B2 Phenoxyalkyl pyridinium oxime therapeutics for treatment of organophosphate poisoning MISSISSIPPI STATE UNIVERSITY (US) 2016-01-05 — — US disclosed
US-9227937-B2 Phenoxyalkyl pyridinium oxime therapeutics for treatment of organophosphate poisoning MISSISSIPPI STATE UNIVERSITY (US) 2016-01-05 — — US disclosed
US-9227937-B2 Phenoxyalkyl pyridinium oxime therapeutics for treatment of organophosphate poisoning MISSISSIPPI STATE UNIVERSITY (US) 2016-01-05 — — US disclosed
US-20130172393-A1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING MISSISSIPPI STATE UNIVERSITY 2013-07-04 — — US disclosed
US-20130172393-A1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING MISSISSIPPI STATE UNIVERSITY 2013-07-04 — — US disclosed
EP-2568807-A1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING Mississipi State University (US) 2013-03-20 — — EP disclosed
WO-2011142826-A1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING MISSISSIPI STATE UNIVERSITY (US) 2011-11-17 — — 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-20130172393-A1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING PNPO, PLPBP, PDXK ALDH1A1 2536/4885KMT2A 1998/4885L3MBTL1 996/4885
US-20170258774-A1 NOVEL OXIMES FOR REACTIVATING BUTYRYLCHOLINESTERASE BCHE, ACHE, CHAT ALDH1A1 1183/4885KMT2A 1474/4885L3MBTL1 359/4885

“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.

Send feedback