SCHEMBL4339818

SCHEMBL4339818

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
MAOB P27338 6/20 0.52
GRM5 P41594 1/20 0.51
NR4A2 P43354 1/20 0.50
PARP10 Q53GL7 1/20 0.49
LTA4H P09960 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP14 P50281 1/20 0.48
ADAM17 P78536 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MAOA P21397 2/20 0.47
SCN9A Q15858 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
PPARA Q07869 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL31703470 0.89 MAOB (0.58) SIRT2MAOBGRM5NR4A2PARP10
SCHEMBL12188295 0.88 MAOB (0.54) MAOBGRM5NR4A2PARP10MMP1
SCHEMBL7043590 0.87 LTA4H (0.62) LTA4HKMT2A
SCHEMBL6524131 0.80 GRM5 (0.46) SIRT2MAOBGRM5NR4A2PARP10
SCHEMBL4345295 0.80 LTA4H (0.71) MAOBNR4A2PARP10LTA4HMMP1
SCHEMBL5864434 0.79 ALDH1A1 (0.53) KMT2A
SCHEMBL3505091 0.79 MAOB (0.60) MAOBNR4A2PARP10MAOASCN9A
SCHEMBL6438683 0.79 NR4A2 (0.64) MAOBNR4A2PARP10LTA4HMMP1
Hydrochloric Acid SCHEMBL5618518 0.79 LTA4H (0.69) MAOBNR4A2PARP10LTA4HMMP1
SCHEMBL31703476 0.79 NR4A2 (0.60) MAOBNR4A2PARP10LTA4HMMP1

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
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 US disclosed
US-20050283019-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2005-12-22 US disclosed
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 EP disclosed
US-20040210079-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2004-10-21 US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US disclosed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 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 (3 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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 SIRT2 438/4885MAOB 1/4885GRM5 1982/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 SIRT2 394/4885MAOB 1/4885GRM5 1853/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 SIRT2 393/4885MAOB 1/4885GRM5 2015/4885

“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.