SCHEMBL5565039

SCHEMBL5565039

CC(C)N(CCOc1cccc2cc(C(=O)O)oc12)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CNR2 P34972 3/20 0.45
PIM1 P11309 3/20 0.42
PIM2 Q9P1W9 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCHR1 Q99705 5/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL5559604 0.86 LMNA (0.49) LMNARECQLKMT2AMEN1NPC1
SCHEMBL5559227 0.83 HTR1B (0.50) LMNARECQLKMT2AMEN1NPC1
SCHEMBL5565438 0.81 LMNA (0.55) LMNARECQLKMT2AMEN1NPC1
SCHEMBL5558971 0.81 LMNA (0.50) LMNARECQLKMT2AMEN1NPC1
SCHEMBL6444273 0.81 HTR1B (0.46) LMNARECQLKMT2AMEN1NPC1
SCHEMBL2649753 0.79 KMT2A (0.59) LMNARECQLKMT2AMEN1NPC1
SCHEMBL5559881 0.78 LMNA (0.51) LMNARECQLKMT2AMEN1NPC1
SCHEMBL5564644 0.78 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1CNR2
Anthranilamide SCHEMBL6444259 0.76 CYP1A2 (0.47) LMNARECQLKMT2AMEN1NPC1
SCHEMBL978037 0.75 LMNA (0.77) LMNARECQLKMT2AMEN1NPC1

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 LMNA 2072/4885RECQL 1918/4885KMT2A 55/4885

“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.