SCHEMBL2333872

SCHEMBL2333872

O=C1c2c(cccc2[N+](=O)[O-])CN1Cc1cccc(CN2Cc3cccc([N+](=O)[O-])c3C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
PREP P48147 4/20 0.44
ACHE P22303 2/20 0.43
RECQL P46063 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.40
S100A4 P26447 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL14348205 0.92 PARP1 (0.57) PARP1PREPACHERECQLMAPT
SCHEMBL3910578 0.91 PARP1 (0.44) PARP1PREPACHERECQLMAPT
SCHEMBL31281346 0.83 DCTPP1 (0.48) PARP1PREPKMT2ACA12CA1
SCHEMBL3910961 0.81 PARP1 (0.38) PARP1PREPMAPT
SCHEMBL29695767 0.80 ACHE (0.44) PARP1ACHERECQLMAPTKMT2A
SCHEMBL4029942 0.80 LMNA (0.56) PARP1ACHEMAPTKMT2AALDH1A1
SCHEMBL24469503 0.78 PARP1 (0.49) PARP1ACHERECQLMAPTKMT2A
SCHEMBL4209630 0.78 ACHE (0.43) PARP1ACHERECQLMAPTKMT2A
SCHEMBL4026308 0.77 PARP1 (0.48) PARP1ACHEKMT2AALDH1A1
SCHEMBL1612887 0.77 ACHE (0.50) ACHERECQLMAPTKMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2023-08-29 US disclosed
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2023-08-29 US disclosed
US-11649339-B2 Oxygen scavenging compositions, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2023-05-16 US disclosed
US-11649339-B2 Oxygen scavenging compositions, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2023-05-16 US disclosed
US-11345534-B2 Oxygen scavenging compositions, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2022-05-31 US disclosed
US-11338983-B2 Oxygen scavenging compositions, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2022-05-24 US disclosed
US-20210403423-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2021-12-30 US disclosed
US-10906870-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2021-02-02 US disclosed
US-10906870-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2021-02-02 US disclosed
US-20200165051-A1 Oxygen Scavenging Compositions, Articles Containing Same, and Methods of Their Use WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2020-05-28 US disclosed
US-20110251395-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2011-10-13 US disclosed
US-20110251395-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2011-10-13 US disclosed
US-7994245-B2 Oxygen scavenging molecules, articles containing same, and methods of their use CONSTAR INTERNATIONAL L.L.C. (US) 2011-08-09 US disclosed
US-7994245-B2 Oxygen scavenging molecules, articles containing same, and methods of their use CONSTAR INTERNATIONAL L.L.C. (US) 2011-08-09 US disclosed
US-7994245-B2 Oxygen scavenging molecules, articles containing same, and methods of their use CONSTAR INTERNATIONAL L.L.C. (US) 2011-08-09 US disclosed
WO-2008141185-A9 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE CONSTAR INTERNATIONAL, INC. (US) 2009-09-24 WO disclosed
WO-2008141185-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE CONSTAR INTERNATIONAL, INC. (US) 2008-11-20 WO disclosed
US-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2008-11-13 US disclosed
US-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2008-11-13 US disclosed
US-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2008-11-13 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 (5 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-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use SCO2, SQOR, DUOX2 PARP1 2106/4885PREP 3528/4885ACHE 1026/4885
US-20110251395-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE SCO2, SOD1, SQOR PARP1 1956/4885PREP 3469/4885ACHE 1018/4885
US-10906870-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, SOD1 PARP1 2179/4885PREP 3619/4885ACHE 1196/4885
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, DUOX2 PARP1 2179/4885PREP 3594/4885ACHE 1134/4885
US-20210403423-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE SQOR, SCO2, DUOX2 PARP1 2179/4885PREP 3594/4885ACHE 1134/4885

“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.