SCHEMBL11973811

SCHEMBL11973811

Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3cccnc23)cc1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 9/20 0.80
▸ NFKBIA P25963 8/20 0.80
▸ KMT2A Q03164 5/20 0.80
▸ TDP1 Q9NUW8 5/20 0.80
▸ MEN1 O00255 4/20 0.80
▸ OPRK1 P41145 3/20 0.80
▸ AGTR1 P30556 2/20 0.80
▸ SLC40A1 Q9NP59 10/20 0.73
▸ MDM4 O15151 1/20 0.73
▸ MDM2 Q00987 1/20 0.73
▸ MITF O75030 1/20 0.59
▸ S1PR4 O95977 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ S1PR1 P21453 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ CKS1B P61024 1/20 0.59
▸ SKP2 Q13309 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL11973467 0.91 SLC40A1 (0.74) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11973667 0.89 RELA (1.00) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11973210 0.87 NFKBIA (0.85) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11973295 0.84 SLC40A1 (1.00) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11972893 0.84 SLC40A1 (0.77) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11973418 0.84 NFKBIA (1.00) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11973893 0.84 SLC40A1 (1.00) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11973400 0.84 SLC40A1 (0.69) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11973678 0.84 RELA (0.76) RELANFKBIAKMT2ATDP1MEN1
SCHEMBL11973578 0.84 SLC40A1 (1.00) RELANFKBIAKMT2ATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 — — 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 (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 RELA 1102/4885NFKBIA 277/4885KMT2A 3298/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 RELA 1102/4885NFKBIA 277/4885KMT2A 3298/4885

“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.

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