SCHEMBL11973076

SCHEMBL11973076

O=[N+]([O-])c1ccc(C(F)(F)F)c2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.61
ALDH1A1 P00352 9/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
LMNA P02545 4/20 0.61
TDP1 Q9NUW8 5/20 0.54
KDM4E B2RXH2 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CTSB P07858 2/20 0.54
CASP6 P55212 2/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.54
BRD4 O60885 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
ALOX12 P18054 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54

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
SCHEMBL11973306 0.88 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8724077 0.80 MAPT (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28546072 0.78 MAPT (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL27190062 0.78 MAPT (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29989566 0.77 MAPT (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3601801 0.77 TDP1 (0.55) ALDH1A1LMNATDP1SMN1; SMN2CTSB
SCHEMBL2469833 0.76 ALDH1A1 (1.00) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8751507 0.76 MAPT (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11973580 0.76 MEN1 (0.77) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1552872 0.76 MAPT (1.00) MAPTALDH1A1MEN1KMT2ALMNA

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 8 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
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

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 MAPT 4801/4885ALDH1A1 3570/4885MEN1 2680/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 MAPT 4801/4885ALDH1A1 3570/4885MEN1 2680/4885

“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.