SCHEMBL113922

SCHEMBL113922

N[C@@H](CSCc1ccc(O)c2ncccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.56
KDM4E B2RXH2 10/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
HTT P42858 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
PAX8 Q06710 1/20 0.50
MAPT P10636 3/20 0.47
ALOX12 P18054 2/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FTO Q9C0B1 2/20 0.47

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
SCHEMBL113761 1.00 BRD4 (0.56) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL114752 1.00 BRD4 (0.56) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL112246 0.83 KDM4E (0.59) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL113628 0.83 KDM4E (0.59) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL112267 0.83 KDM4E (0.59) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL12119901 0.83 BRD4 (0.53) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL113635 0.78 BRD4 (0.48) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL113669 0.78 BRD4 (0.48) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL112274 0.78 BRD4 (0.48) BRD4KDM4EL3MBTL1HTTNPC1
SCHEMBL10155529 0.76 KDM4E (0.64) BRD4KDM4EL3MBTL1HTTNPC1

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 9 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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
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
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 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
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2006-10-19 US disclosed
EP-1565185-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-08-24 EP 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 (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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 BRD4 4520/4885KDM4E 3494/4885L3MBTL1 908/4885
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them FECH, HMOX1, FTH1 BRD4 4427/4885KDM4E 3557/4885L3MBTL1 1041/4885

“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.