SCHEMBL11968841

SCHEMBL11968841

O=S(=O)(c1ccccc1)C1CNCCN1CC(O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN1 Q05586 2/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.39
IDO1 P14902 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL11969195 0.77 KMT2A (0.36) KDM4EALDH1A1CHRM2CHRM1
SCHEMBL608303 0.75 RAD52 (0.53) KDM4EHTT
SCHEMBL10979646 0.75 CA1 (0.39) HTR2AHTR2CKCNH2ALDH1A1CHRM2
SCHEMBL10974784 0.73 CA1 (0.39) HTR2AHTR2CKCNH2ALDH1A1CHRM2
SCHEMBL350930 0.71 SLC18A3 (0.44) KDM4EGRIN2B
SCHEMBL1714647 0.71 HTR2C (0.41) HTR2AHTR2CKCNH2ALDH1A1DRD2
SCHEMBL9185398 0.70 PKM (0.42) HTR2AHTR2CKCNH2ALDH1A1CHRM2
SCHEMBL10630089 0.70 SLC18A3 (0.43) KDM4EHTTGRIN2BGRIN1ALDH1A1
SCHEMBL10632309 0.69 SLC18A3 (0.43) KDM4EHTTGRIN2B
Hydrochloric Acid SCHEMBL10632236 0.69 SLC18A3 (0.43) KDM4EHTTGRIN2BGRIN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712587-A Novel ethane diamine hepcidin antagonists VIFOR INT AG 2012-10-03 CN disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 KDM4E 1676/4885HTT 2331/4885GRIN2B 2946/4885

“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.