SCHEMBL8545932

SCHEMBL8545932

O=C(O)c1ccnc2cccc([N+](=O)[O-])c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
ASPH Q12797 1/20 0.50
KDM8 Q8N371 1/20 0.50
EGFR P00533 2/20 0.45
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MET P08581 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GPR35 Q9HC97 1/20 0.41
PDE10A Q9Y233 1/20 0.41
FGFR1 P11362 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL30517039 1.00 KDM4E (0.50) KDM4ETSHRPOLBASPHKDM8
SCHEMBL27562498 0.86 PAX8 (0.44) KDM4ETSHRPOLBASPHKDM8
SCHEMBL10464802 0.80 KDM4E (0.48) KDM4ETSHRASPHKDM8TDP1
SCHEMBL13754070 0.80 POLB (0.43) KDM4EPOLBASPHKDM8EGFR
SCHEMBL8540697 0.77 CYP3A4 (0.46) KDM4ETSHRPOLBASPHKDM8
SCHEMBL3274442 0.76 POLB (0.54) KDM4ETSHRPOLBEGFRNCOA1
SCHEMBL4905093 0.76 ALDH1A1 (0.58) KDM4EPOLBEGFRNCOA1NCOA3
SCHEMBL27789837 0.76 POLB (0.54) KDM4EPOLBEGFRNCOA1NCOA3
SCHEMBL31067270 0.76 POLB (0.54) KDM4ETSHRPOLBEGFRNCOA1
SCHEMBL8620901 0.76 ALDH1A1 (0.39) KDM4EPOLBASPHKDM8EGFR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118451068-A Tri-fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
WO-2023125877-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
CN-103492028-A Novel sulfonaminoquinoline hepcidin antagonists VIFOR INT AG 2014-01-01 CN disclosed
EP-2675526-A1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS Vifor (International) AG (CH) 2013-12-25 EP disclosed
WO-2012110603-A1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 WO disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
EP-0581500-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5441949-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0581500-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 EP 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-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 KDM4E 4215/4885TSHR 1004/4885POLB 4466/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 KDM4E 4215/4885TSHR 1004/4885POLB 4466/4885

“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.