SCHEMBL5564274

SCHEMBL5564274

CN(C)CCOc1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 4/20 0.58
TBXAS1 P24557 1/20 0.57
CLK1 P49759 6/20 0.50
DYRK1A Q13627 4/20 0.50
DYRK1B Q9Y463 2/20 0.50
LMNA P02545 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CLK2 P49760 2/20 0.45
BCL2L1 Q07817 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.43
FLT3 P36888 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CLK4 Q9HAZ1 1/20 0.42
LTA4H P09960 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
SCHEMBL5564923 0.94 TBXAS1 (0.56) KDM4EALDH1A1TBXAS1CLK1DYRK1A
SCHEMBL18893480 0.90 KDM4E (0.58) KDM4EALDH1A1TBXAS1LMNAPDGFRB
SCHEMBL5566031 0.86 TBXAS1 (0.54) KDM4EALDH1A1TBXAS1CLK1DYRK1A
SCHEMBL18893482 0.85 HPGD (0.51) KDM4EALDH1A1TBXAS1CLK1DYRK1A
SCHEMBL5564937 0.84 TBXAS1 (0.59) TBXAS1CLK1DYRK1ADYRK1BCLK2
SCHEMBL5559819 0.83 TBXAS1 (0.61) TBXAS1CLK1DYRK1ADYRK1BCLK2
SCHEMBL5764549 0.82 TBXAS1 (0.56) KDM4EALDH1A1TBXAS1CLK1DYRK1A
SCHEMBL7336540 0.82 TBXAS1 (0.57) TBXAS1
SCHEMBL5565054 0.81 TBXAS1 (0.56) KDM4ETBXAS1CLK1DYRK1ADYRK1B
SCHEMBL13032409 0.79 KDM4E (0.50) KDM4EALDH1A1LMNAPDGFRBPDGFRA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP claimed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 US claimed
EP-2762472-B1 SELENOPHENE-FUSED AROMATIC COMPOUND AND MANUFACTURING METHOD THEREOF INDUSTRY-ACADEMIA COOP GROUP OF SEJONG UNIV (KR) 2017-05-24 EP disclosed
US-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 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-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HDAC1, HDAC11, HDAC7 KDM4E 137/4885ALDH1A1 189/4885TBXAS1 3283/4885

“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.