SCHEMBL4338595

SCHEMBL4338595

O=C(CC(=O)Nc1ccc(OCc2cccc(F)c2)cc1)NO

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP14 P50281 1/20 0.61
ADAM17 P78536 1/20 0.61
NR4A2 P43354 2/20 0.59
MAOB P27338 8/20 0.57
PARP10 Q53GL7 1/20 0.57
LTA4H P09960 1/20 0.53
PPARA Q07869 1/20 0.53
GSK3B P49841 1/20 0.52
BACE1 P56817 1/20 0.52
F10 P00742 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.51

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
SCHEMBL4350555 0.89 MAOB (0.60) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL6438683 0.89 NR4A2 (0.64) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL3504082 0.88 MAOB (0.64) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL4345295 0.87 LTA4H (0.71) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL3505091 0.86 MAOB (0.60) NR4A2MAOBPARP10MAOA
SCHEMBL31703476 0.86 NR4A2 (0.60) MMP1MMP2MMP9MMP14ADAM17
Hydrochloric Acid SCHEMBL5618518 0.86 LTA4H (0.69) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL4332971 0.83 NR4A2 (0.56) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL24968494 0.80 NR4A2 (0.59) NR4A2MAOBPARP10PPARAGSK3B
SCHEMBL27619656 0.80 MAOB (0.61) NR4A2MAOBPARP10PPARAF10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US claimed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US claimed
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO 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 (4 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 MMP1 2674/4885MMP2 1932/4885MMP9 2778/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MMP1 539/4885MMP2 542/4885MMP9 489/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MMP1 2543/4885MMP2 1641/4885MMP9 2469/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MMP1 2767/4885MMP2 1737/4885MMP9 2651/4885

“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.