SCHEMBL5465636

SCHEMBL5465636

CC(C)(C)C1=NN(c2cc(Cl)cc(Cl)c2)C(=O)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.64
MAPT P10636 7/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 6/20 0.49
GAA P10253 4/20 0.49
RECQL P46063 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8417603 0.84 MAPT (0.54) LOXMAPTALDH1A1KDM4EGAA
SCHEMBL5470298 0.83 LOX (0.44) LOXMAPTALDH1A1KDM4EGAA
SCHEMBL7528553 0.78 LOX (1.00) LOXMAPTALDH1A1KDM4EGAA
SCHEMBL5462610 0.77 MAPT (0.72) MAPTALDH1A1KDM4EGAARECQL
SCHEMBL4345438 0.76 LOX (0.63) LOXMAPTALDH1A1KDM4EGAA
SCHEMBL10889560 0.74 MAPT (0.51) MAPTALDH1A1KDM4EGAARECQL
SCHEMBL5459978 0.73 MAPT (0.45) LOXMAPTALDH1A1KDM4EGAA
SCHEMBL5904917 0.73 LOX (0.68) LOXMAPTALDH1A1KDM4EGAA
SCHEMBL9500603 0.73 ALDH1A1 (0.49) LOXMAPTALDH1A1KDM4EGAA
SCHEMBL13931168 0.72 LOX (0.70) LOXMAPTALDH1A1GAAL3MBTL1

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 LOX 562/4885MAPT 4163/4885ALDH1A1 1861/4885

“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.