SCHEMBL5564372

SCHEMBL5564372

O=C(O)c1cc2cc(OCc3ccccn3)ccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.54
PARP10 Q53GL7 1/20 0.49
BCL2L1 Q07817 1/20 0.48
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CLK1 P49759 4/20 0.44
DYRK1A Q13627 1/20 0.44
F9 P00740 2/20 0.43
F10 P00742 2/20 0.43
DHODH Q02127 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
MRGPRX4 Q96LA9 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
SCHEMBL26111138 0.90 PARP10 (0.49) TBXAS1PARP10BCL2L1NPC1HSP90AA1
SCHEMBL8801668 0.82 CYSLTR1 (0.62)
SCHEMBL26108330 0.79 TBXAS1 (0.49) TBXAS1BCL2L1KDM4ESMN1; SMN2F9
SCHEMBL9756934 0.78 CYSLTR1 (0.60)
SCHEMBL5565342 0.77 CLK1 (0.46) NPC1RAB9ASMN1; SMN2CLK1
SCHEMBL9757258 0.77 CYSLTR1 (0.60)
SCHEMBL5764549 0.76 TBXAS1 (0.56) TBXAS1BCL2L1NPC1MAPTRAB9A
SCHEMBL31207859 0.76 PPARG (0.50) PARP10NPC1HSP90AA1MAPTMAPK1
SCHEMBL26109563 0.76 PPARG (0.50) PARP10NPC1HSP90AA1MAPTMAPK1
SCHEMBL5559819 0.75 TBXAS1 (0.61) TBXAS1BCL2L1CLK1DYRK1AF9

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 8 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
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 TBXAS1 3283/4885PARP10 307/4885BCL2L1 869/4885

“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.