SCHEMBL2596731

SCHEMBL2596731

CCOP(C)(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 4/20 0.50
RECQL P46063 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL9051809 0.87 ALDH1A1 (0.61) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL3182861 0.86 CA1 (0.55) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL9367346 0.84 ALDH1A1 (0.50) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL11259237 0.82 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL9316440 0.80 ALDH1A1 (0.64) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL3921718 0.80 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL27749820 0.80 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL11670654 0.79 ALDH1A1 (0.49) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL1276317 0.79 RAB9A (0.45) ALDH1A1TDP1RAB9ARECQLNPC1
SCHEMBL2596745 0.79 ALDH1A1 (0.51) ALDH1A1TDP1RAB9ARECQLNPC1

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 6 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-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 2536/4885TDP1 589/4885RAB9A 4146/4885
US-20170258774-A1 NOVEL OXIMES FOR REACTIVATING BUTYRYLCHOLINESTERASE BCHE, ACHE, CHAT ALDH1A1 1183/4885TDP1 315/4885RAB9A 1917/4885

“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.