SCHEMBL5564800

SCHEMBL5564800

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
BRD4 O60885 1/20 0.45
ACKR3 P25106 1/20 0.44
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
LMNA P02545 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
FLT3 P36888 4/20 0.43
AURKB Q96GD4 4/20 0.43
KDR P35968 2/20 0.43
MAPK14 Q16539 2/20 0.43
BMPR1B O00238 1/20 0.43
MUSK O15146 1/20 0.43
EPHB6 O15197 1/20 0.43
MAP3K7 O43318 1/20 0.43
RIPK2 O43353 1/20 0.43
PAK3 O75914 1/20 0.43
STK10 O94804 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL5558726 0.84 CLK1 (0.47) MAPK14MAPK9
SCHEMBL5564638 0.84 CLK1 (0.45) HDAC1ACKR3MAPK14MAPK9
SCHEMBL5563425 0.82 KDM4E (0.45) PDGFRBPDGFRAMAPK14LCKMAPK9
SCHEMBL5563787 0.81 CLK1 (0.41) FLT3MAPK14MAPK9
SCHEMBL5564913 0.81 CACNA1H (0.43) PDGFRBPDGFRAMAPK14MAPK9ALDH1A1
SCHEMBL1600161 0.81 BRD4 (0.49) BRD4PDGFRBPDGFRAKDRMAPK14
SCHEMBL5563584 0.81 CLK1 (0.45) ACKR3MAPK14MAPK9
SCHEMBL5565157 0.80 MCHR1 (0.46) MAPK14MAPK9
SCHEMBL5559862 0.77 TBXAS1 (0.59) PDGFRBPDGFRALMNADRD2DRD3
SCHEMBL5565342 0.77 CLK1 (0.46) MAPK14SMN1; SMN2

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 HDAC1 1/4885BRD4 146/4885ACKR3 4394/4885

“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.