SCHEMBL5564913

SCHEMBL5564913

CN(C)CCCOc1ccc2sc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.43
CACNA1B Q00975 2/20 0.43
CLK1 P49759 7/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
UTS2R Q9UKP6 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MAPK9 P45984 2/20 0.39
MAPK14 Q16539 2/20 0.39
DYRK1A Q13627 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL5563425 0.95 KDM4E (0.45) CACNA1HCACNA1BCLK1KDM4EALDH1A1
SCHEMBL5558726 0.89 CLK1 (0.47) CLK1MAPK9MAPK14DYRK1A
SCHEMBL5564638 0.89 CLK1 (0.45) CLK1MAPK9MAPK14DYRK1A
SCHEMBL5565157 0.88 MCHR1 (0.46) CLK1MAPK9MAPK14
SCHEMBL5563584 0.85 CLK1 (0.45) CLK1MAPK9MAPK14DYRK1A
SCHEMBL5563787 0.84 CLK1 (0.41) CLK1MAPK9MAPK14
SCHEMBL5564800 0.81 HDAC1 (0.47) ALDH1A1PDGFRBPDGFRAMAPK9MAPK14
SCHEMBL5565342 0.81 CLK1 (0.46) CLK1MAPK14SMN1; SMN2
SCHEMBL5558120 0.79 CLK1 (0.48) CLK1MAPK14DYRK1A
SCHEMBL5564923 0.76 TBXAS1 (0.56) CLK1KDM4EALDH1A1PDGFRBPDGFRA

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 4 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 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 CACNA1H 4290/4885CACNA1B 4495/4885CLK1 2625/4885

“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.