SCHEMBL178662

SCHEMBL178662

Cc1c(O)c(=O)ccn1C(C)SCC(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
DOHH Q9BU89 2/20 0.42
TYR P14679 1/20 0.42
CYP2C19 P33261 2/20 0.41
KDM6A O15550 1/20 0.41
KDM4A O75164 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM5C P41229 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
COMT P21964 2/20 0.39
KIF11 P52732 11/20 0.39

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
SCHEMBL8694192 0.76 KDM4E (0.50) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL2511740 0.74 KDM4E (0.55) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL113644 0.74 KDM4E (0.47) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL113697 0.74 KDM4E (0.47) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL113619 0.74 KDM4E (0.47) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL8331538 0.72 KDM4E (0.57) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL14311722 0.72 KDM4E (0.57) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL4394160 0.71 KDM4E (0.55) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL15453041 0.70 KDM4E (0.50) KDM4EDOHHTYRCYP2C19KDM6A
SCHEMBL9282434 0.70 KDM4E (0.50) KDM4EDOHHTYRCYP2C19KDM6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 US disclosed
WO-2004041151-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2004-05-21 WO 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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 KDM4E 3494/4885DOHH 128/4885TYR 273/4885

“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.