SCHEMBL4345295

SCHEMBL4345295

NCC(=O)Nc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.71
MAOB P27338 11/20 0.64
PARP10 Q53GL7 1/20 0.64
NR4A2 P43354 1/20 0.61
MAOA P21397 1/20 0.56
SCN9A Q15858 1/20 0.56
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP14 P50281 1/20 0.55
ADAM17 P78536 1/20 0.55
PPARA Q07869 1/20 0.55

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
Hydrochloric Acid SCHEMBL5618518 0.99 LTA4H (0.69) LTA4HMAOBPARP10NR4A2MAOA
SCHEMBL3504082 0.90 MAOB (0.64) LTA4HMAOBPARP10NR4A2MAOA
SCHEMBL4350555 0.89 MAOB (0.60) LTA4HMAOBPARP10NR4A2MAOA
SCHEMBL31703476 0.88 NR4A2 (0.60) LTA4HMAOBPARP10NR4A2MAOA
SCHEMBL6438683 0.88 NR4A2 (0.64) LTA4HMAOBPARP10NR4A2MMP1
SCHEMBL4338595 0.87 MMP1 (0.61) LTA4HMAOBPARP10NR4A2MAOA
SCHEMBL3505091 0.86 MAOB (0.60) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL4332971 0.85 NR4A2 (0.56) LTA4HMAOBPARP10NR4A2MMP1
SCHEMBL27619656 0.85 MAOB (0.61) MAOBPARP10NR4A2MAOASCN9A
Hydrochloric Acid SCHEMBL4341157 0.84 MAOB (0.59) LTA4HMAOBPARP10NR4A2MAOA

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 10 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
CN-100482638-C N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2009-04-29 CN 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
CN-1656057-A N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2005-08-17 CN 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 LTA4H 762/4885MAOB 1/4885PARP10 2121/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 LTA4H 763/4885MAOB 1/4885PARP10 1982/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 LTA4H 1444/4885MAOB 1/4885PARP10 1696/4885

“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.