SCHEMBL178578

SCHEMBL178578

NC(CO)C(=O)NNCCc1ccc(O)c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
HTT P42858 4/20 0.51
NPC1 O15118 4/20 0.51
LMNA P02545 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.49
ESR2 Q92731 2/20 0.49
ESR1 P03372 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
NPY1R P25929 1/20 0.49
PTGS2 P35354 1/20 0.49
OPRD1 P41143 1/20 0.49
MTOR P42345 1/20 0.49
HK2 P52789 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL178579 0.81 MAOA (0.48) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL113628 0.72 KDM4E (0.59) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL112267 0.72 KDM4E (0.59) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL112246 0.72 KDM4E (0.59) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL15854518 0.72 KDM4E (0.77) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL30159468 0.70 KDM4E (1.00) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL1782934 0.70 KDM4E (1.00) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL7531773 0.70 KDM4E (0.67) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL10156186 0.70 KDM4E (0.73) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL27906143 0.69 KDM4E (0.96) KDM4EL3MBTL1HTTNPC1LMNA

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
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 KDM4E 3494/4885L3MBTL1 908/4885HTT 9/4885

“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.