SCHEMBL11997066

SCHEMBL11997066

CC(C)(C)[S+]([O-])/N=C/c1ccc2cccnc2c1N=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.37
KDM4E B2RXH2 9/20 0.37
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 5/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CCR1 P32246 3/20 0.37
CCR5 P51681 3/20 0.37
CCR8 P51685 3/20 0.37
CYP3A4 P08684 2/20 0.37
NFKB1 P19838 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP2D6 P10635 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL4684384 0.83 KDM4E (0.42) LMNAKDM4EMAPTTDP1HTT
SCHEMBL4684388 0.83 KDM4E (0.42) LMNAKDM4EMAPTTDP1HTT
SCHEMBL4684391 0.83 KDM4E (0.42) LMNAKDM4EMAPTTDP1HTT
SCHEMBL4684386 0.83 KDM4E (0.42) LMNAKDM4EMAPTTDP1HTT
SCHEMBL4684389 0.83 KDM4E (0.42) LMNAKDM4EMAPTTDP1HTT
SCHEMBL11973478 0.82 PDE10A (0.41) LMNAKDM4EMAPTTDP1HTT
SCHEMBL2719987 0.79 MET (0.34) LMNAKDM4EMAPTTDP1HTT
SCHEMBL2719983 0.79 MET (0.34) LMNAKDM4EMAPTTDP1HTT
SCHEMBL11997065 0.75 ERN1 (0.49) LMNAKDM4EMAPTTDP1HTT
SCHEMBL30238682 0.73 ALDH1A1 (0.51) LMNAKDM4EMAPTTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 LMNA 4127/4885KDM4E 4215/4885MAPT 4801/4885

“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.