SCHEMBL112225

SCHEMBL112225

CCC(=O)Oc1ccc(CCl)c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
BRD4 O60885 5/20 0.49
GAA P10253 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL15823989 0.84 KDM4E (0.72) KDM4ECYP3A4ALOX12TDP1BRD4
SCHEMBL27750929 0.78 KDM4E (0.44) KDM4ECYP3A4ALOX12TDP1BRD4
Hydrochloric Acid SCHEMBL637296 0.77 MAOA (0.56) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL7531777 0.77 COMT (0.54) KDM4EALOX12TDP1BRD4GAA
SCHEMBL112362 0.76 BRD4 (0.45) KDM4ECYP3A4ALOX12TDP1BRD4
SCHEMBL112228 0.75 MAPK1 (0.50) KDM4ECYP3A4ALOX12TDP1BRD4
SCHEMBL28447577 0.75 KDM4E (0.71) KDM4ECYP3A4ALOX12TDP1BRD4
SCHEMBL10750474 0.75 LMNA (0.63) KDM4EGAAHTTSMN1; SMN2NPSR1
SCHEMBL1533873 0.73 CYP3A4 (0.43) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL27404974 0.73 KDM4E (0.44) KDM4ECYP3A4ALOX12TDP1GAA

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 3494/4885CYP3A4 3395/4885ALOX12 488/4885

“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.