SCHEMBL2596745

SCHEMBL2596745

CC(C)OP(C)(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
RECQL P46063 2/20 0.46
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.41
KMT2A Q03164 7/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL2596731 0.79 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL9051812 0.78 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL9051815 0.78 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL36924 0.77 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL307762 0.75 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL29981558 0.75 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL1342303 0.75 ALDH1A1 (0.63) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL15899084 0.74 SMN1; SMN2 (0.53) ALDH1A1TDP1L3MBTL1RAB9ANPC1
SCHEMBL23683541 0.74 ALDH1A1 (0.62) ALDH1A1TDP1L3MBTL1RAB9ANPC1

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
US-11186548-B2 Compounds for central reactivation of organophosphorus-based compound-inhibited acetylcholinesterase and/or inactivation of organophosphorus-based acetylcholinesterase inhibitors and related compositions methods and systems for making and using them LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-11-30 US disclosed
US-20190152920-A1 COMPOUNDS FOR CENTRAL REACTIVATION OF ORGANOPHOSPHORUS- BASED COMPOUND-INHIBITED ACETYLCHOLINESTERASE AND/OR INACTIVATION OF ORGANOPHOSPHORUS-BASED ACETYLCHOLINESTERASE INHIBITORS AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR MAKING AND USING THEM U.S. DEPARTMENT OF ENERGY 2019-05-23 US disclosed
EP-2568807-B1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING UNIV MISSISSIPPI STATE (US) 2018-07-11 EP 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 (3 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-20190152920-A1 COMPOUNDS FOR CENTRAL REACTIVATION OF ORGANOPHOSPHORUS- BASED COMPOUND-INHIBITED ACETYLCHOLINESTERASE AND/OR INACTIVATION OF ORGANOPHOSPHORUS-BASED ACETYLCHOLINESTERASE INHIBITORS AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR MAKING AND USING THEM ACHE, BCHE, CHAT ALDH1A1 1411/4885TDP1 99/4885L3MBTL1 1234/4885
US-20130172393-A1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING PNPO, PLPBP, PDXK ALDH1A1 2536/4885TDP1 589/4885L3MBTL1 996/4885
US-11186548-B2 Compounds for central reactivation of organophosphorus-based compound-inhibited acetylcholinesterase and/or inactivation of organophosphorus-based acetylcholinesterase inhibitors and related compositions methods and systems for making and using them ACHE, BCHE, CHAT ALDH1A1 1411/4885TDP1 99/4885L3MBTL1 1234/4885

“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.