SCHEMBL5559604

SCHEMBL5559604

CN(C)CCOc1cccc2cc(C(=O)O)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
HTR1B P28222 1/20 0.49
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 5/20 0.47
HRH1 P35367 1/20 0.45
CSF1R P07333 1/20 0.45
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 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
SCHEMBL5559227 0.94 HTR1B (0.50) LMNARECQLHTR1BKMT2ASMN1; SMN2
SCHEMBL6444273 0.93 HTR1B (0.46) LMNARECQLHTR1BKMT2ASMN1; SMN2
Anthranilamide SCHEMBL6444259 0.87 CYP1A2 (0.47) LMNARECQLHTR1BKMT2ASMN1; SMN2
SCHEMBL5565039 0.86 LMNA (0.46) LMNARECQLKMT2ASMN1; SMN2NPC1
SCHEMBL6982551 0.85 MAPK1 (0.49) LMNARECQLHTR1BKMT2ASMN1; SMN2
SCHEMBL5565438 0.84 LMNA (0.55) LMNARECQLKMT2ASMN1; SMN2NPC1
SCHEMBL5558971 0.84 LMNA (0.50) LMNARECQLKMT2ASMN1; SMN2NPC1
SCHEMBL2649753 0.82 KMT2A (0.59) LMNARECQLKMT2ASMN1; SMN2NPC1
SCHEMBL5559881 0.81 LMNA (0.51) LMNARECQLKMT2ASMN1; SMN2NPC1
SCHEMBL4816246 0.80 HTR1B (0.49) LMNAHTR1BSMN1; SMN2ALDH1A1KDM4E

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 12 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
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 US claimed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO 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
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO 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 1918/4885HTR1B 2519/4885

“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.