SCHEMBL11972802

SCHEMBL11972802

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)c2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.69
▸ TDP1 Q9NUW8 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ NFKBIA P25963 2/20 0.58
▸ OPRK1 P41145 2/20 0.58
▸ RELA Q04206 2/20 0.58
▸ MDM4 O15151 1/20 0.58
▸ MDM2 Q00987 1/20 0.58
▸ CTSB P07858 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 9/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ TNNI3 P19429 1/20 0.46
▸ TNNT2 P45379 1/20 0.46
▸ TNNC1 P63316 1/20 0.46

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
SCHEMBL11973763 0.84 SLC40A1 (0.74) SLC40A1TDP1KMT2AMEN1NFKBIA
SCHEMBL11997100 0.83 SLC40A1 (0.71) SLC40A1TDP1KMT2AMEN1ALDH1A1
SCHEMBL11973035 0.82 SLC40A1 (1.00) SLC40A1TDP1KMT2AMEN1NFKBIA
SCHEMBL30553397 0.81 SLC40A1 (0.69) SLC40A1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL11973633 0.80 SLC40A1 (0.69) SLC40A1TDP1KMT2AMEN1NFKBIA
SCHEMBL17506516 0.79 SLC40A1 (0.82) SLC40A1TDP1KMT2AMEN1OPRK1
SCHEMBL5440898 0.79 CTSB (0.67) SLC40A1TDP1KMT2AMEN1CTSB
SCHEMBL11973728 0.79 SLC40A1 (0.68) SLC40A1TDP1KMT2AMEN1NFKBIA
SCHEMBL11973619 0.79 SLC40A1 (0.68) SLC40A1TDP1KMT2AMEN1NFKBIA
SCHEMBL11973381 0.78 SLC40A1 (0.65) SLC40A1TDP1KMT2AMEN1NFKBIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 — — US 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-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 — — 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
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 — — 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 SLC40A1 2/4885TDP1 4862/4885KMT2A 3298/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 SLC40A1 2/4885TDP1 4862/4885KMT2A 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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