SCHEMBL3354479

SCHEMBL3354479

Nc1c([N+](=O)[O-])c(CCOc2ccccc2)nc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.37
NPY1R P25929 3/20 0.37
TOP1 P11387 1/20 0.36
MGMT P16455 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL3353913 0.83 RAB9A (0.47) MAPTRAB9ANPC1TOP1LMNA
SCHEMBL8150367 0.81 MGMT (0.41) MAPTRAB9ANPC1NPY1RTOP1
SCHEMBL3355146 0.79 MAPT (0.38) MAPTRAB9ANPC1NPY1RMGMT
SCHEMBL3357601 0.79 TLR8 (0.38) MAPTRAB9ANPC1NPY1RMGMT
SCHEMBL191388 0.76 MAPT (0.40) MAPTNPY1RMGMTKDM4EALDH1A1
SCHEMBL311056 0.74 MGMT (0.59) MAPTRAB9ANPC1MGMTLMNA
SCHEMBL6104934 0.69 ALDH1A1 (0.47) MAPTRAB9ANPC1LMNAKDM4E
SCHEMBL6023201 0.68 MAPT (0.39) MAPTNPY1RLMNAALDH1A1MEN1
SCHEMBL6649833 0.68 ACHE (0.42) MAPTRAB9ANPC1MGMTLMNA
SCHEMBL8566973 0.68 POLB (0.43) MAPTMGMTLMNAKDM4EALDH1A1

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 33 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-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-1049689-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2000-11-08 EP disclosed
EP-1040112-A1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-10-04 EP disclosed
WO-1999036421-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-22 WO 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 (8 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 MAPT 4447/4885RAB9A 1449/4885NPC1 2909/4885
US-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 MAPT 4389/4885RAB9A 1261/4885NPC1 3321/4885
US-20070167481-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 MAPT 4389/4885RAB9A 1261/4885NPC1 3321/4885
US-20060128674-A1 INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES IFNG, IRF3, MAVS MAPT 4447/4885RAB9A 1449/4885NPC1 2909/4885
US-20020173653-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 MAPT 4389/4885RAB9A 1261/4885NPC1 3321/4885
US-20020173654-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 MAPT 4389/4885RAB9A 1261/4885NPC1 3321/4885
US-20050288320-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 MAPT 4389/4885RAB9A 1261/4885NPC1 3321/4885
US-20050107421-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 MAPT 4389/4885RAB9A 1261/4885NPC1 3321/4885

“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.