SCHEMBL112381

SCHEMBL112381

CSCc1ccc(O)c2ncccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.68
L3MBTL1 Q9Y468 6/20 0.68
HTT P42858 5/20 0.68
NPC1 O15118 4/20 0.68
LMNA P02545 4/20 0.68
RAB9A P51151 3/20 0.68
GAA P10253 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
BRD4 O60885 5/20 0.67
ALOX12 P18054 4/20 0.63
NPSR1 Q6W5P4 1/20 0.63
PAX8 Q06710 1/20 0.59
MITF O75030 1/20 0.57
MAPT P10636 4/20 0.56
SLC6A2 P23975 1/20 0.56
ALDH1A1 P00352 3/20 0.55
TP53 P04637 2/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55

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
SCHEMBL114710 0.81 KDM4E (0.74) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL30159468 0.81 KDM4E (1.00) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL9177673 0.81 KDM4E (0.79) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL31237495 0.81 KDM4E (0.79) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL1782934 0.81 KDM4E (1.00) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL17018636 0.80 BRD4 (0.78) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL4564667 0.80 KDM4E (0.96) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL1317977 0.80 KDM4E (0.77) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL27906143 0.80 KDM4E (0.96) KDM4EL3MBTL1HTTNPC1LMNA
SCHEMBL10157041 0.79 KDM4E (0.70) 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 2 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

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.