SCHEMBL114736

SCHEMBL114736

C#CCNC(Cc1ccc(O)c2ncccc12)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
L3MBTL1 Q9Y468 7/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MPI P34949 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX12 P18054 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
TP53 P04637 1/20 0.52
BRD4 O60885 2/20 0.51
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
NPC1 O15118 4/20 0.47
HTT P42858 4/20 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
SCHEMBL113620 0.89 MAOA (0.53) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL112261 0.89 MAOA (0.53) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL113766 0.89 MAOA (0.53) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL10155528 0.82 KDM4E (0.60) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL12119939 0.81 KDM4E (0.56) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL137733 0.80 KDM4E (0.57) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL137732 0.80 KDM4E (0.57) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL113637 0.80 KDM4E (0.57) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL113669 0.79 BRD4 (0.48) KDM4EL3MBTL1KMT2AMAPTALDH1A1
SCHEMBL112274 0.79 BRD4 (0.48) KDM4EL3MBTL1KMT2AMAPTALDH1A1

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 5 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-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
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 3494/4885L3MBTL1 908/4885KMT2A 2853/4885

“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.