SCHEMBL3351829

SCHEMBL3351829

CC(C)(C)OC(=O)NCCCCNc1c([N+](=O)[O-])cnc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.43
BRD4 O60885 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
LMNA P02545 2/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 3/20 0.38

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
SCHEMBL1233020 0.98 KDM4E (0.44) KDM4ETDP1CYP3A4BRD4L3MBTL1
SCHEMBL3357329 0.94 BCHE (0.44) KDM4ETDP1CYP3A4BRD4L3MBTL1
SCHEMBL12756915 0.89 KDM4E (0.39) KDM4ETDP1L3MBTL1LMNABCHE
SCHEMBL1036949 0.86 BRD4 (0.44) TDP1BRD4LMNASTK17BSTK17A
SCHEMBL4151900 0.85 LATS1 (0.43) KDM4ETDP1L3MBTL1LMNAMEN1
SCHEMBL6281042 0.85 LMNA (0.42) KDM4ETDP1LMNABCHEMEN1
SCHEMBL6281044 0.85 LMNA (0.42) KDM4ETDP1LMNABCHEMEN1
SCHEMBL1233074 0.84 STK17B (0.44) BRD4LMNASTK17BSTK17ABCHE
SCHEMBL3352911 0.84 KDM4E (0.46) KDM4ETDP1CYP3A4BRD4L3MBTL1
SCHEMBL1233374 0.82 KDM4E (0.46) KDM4ETDP1CYP3A4BRD4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678918-B2 Intermediates for imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-16 US disclosed
US-20080091010-A1 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-04-17 US disclosed
US-7335773-B2 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-20070167481-A1 IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20060128674-A1 INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-06-15 US disclosed
US-7038051-B2 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-02 US disclosed
US-20050288320-A1 IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2005-12-29 US disclosed
US-6949646-B2 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES CO. (US) 2005-09-27 US disclosed
US-20050107421-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2005-05-19 US disclosed
US-6894165-B2 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-17 US disclosed
US-6624172-B2 Imidazonaphthyridine and tetrahydroimidazonaphthyridine compounds induce the biosynthesis of cytokines such as interferon and tumor necrosis factor, and useful as viricides and antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-09-23 US disclosed
US-20030096998-A1 Imidazonaphtyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
US-20030083500-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-01 US disclosed
US-6518280-B2 Antiviral and antitumor properties; immunomodulators and for inducing cytokine biosynthesis in animals 3M INNOVATIVE PROPERTIES COMPANY 2003-02-11 US disclosed
US-6514985-B1 Induce the biosynthesis of cytokines such as interferon and tumor necrosis factor; exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-02-04 US disclosed
US-20020173653-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-20020173654-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-6194425-B1 VIRICIDES, ANTITUMOR AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2001-02-27 US disclosed
EP-1040112-A1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-10-04 EP disclosed
WO-1999029693-A1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-17 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 (9 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-20080091010-A1 Intermediates for imidazonaphthyridines IFNG, IRF3, MAVS KDM4E 4562/4885TDP1 1744/4885CYP3A4 390/4885
US-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20030096998-A1 Imidazonaphtyridines IFNG, IRF3, IFNAR1 KDM4E 4492/4885TDP1 2073/4885CYP3A4 271/4885
US-20070167481-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20060128674-A1 INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES IFNG, IRF3, MAVS KDM4E 4562/4885TDP1 1744/4885CYP3A4 390/4885
US-20020173653-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20020173654-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20050288320-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20050107421-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885

“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.