SCHEMBL4346705

SCHEMBL4346705

O=[N+]([O-])c1ccc(COc2cccc(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAOB P27338 7/20 0.64
MAOA P21397 4/20 0.64
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TLR4 O00206 1/20 0.55
TLR2 O60603 1/20 0.55
ENPP2 Q13822 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL4342895 0.85 MAOB (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31634183 0.85 MAOB (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL810521 0.84 MAOB (0.63) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8153392 0.84 MAOB (0.69) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18614503 0.82 MAOB (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18614501 0.82 MAOB (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13483786 0.82 MAOB (0.67) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL30152301 0.82 ENPP2 (0.47) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1578614 0.81 CA12 (0.66) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8150318 0.81 MAOB (0.66) MAPTMEN1KMT2AALDH1A1LMNA

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 MAPT 753/4885MEN1 3661/4885KMT2A 309/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAPT 692/4885MEN1 3927/4885KMT2A 363/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAPT 475/4885MEN1 2773/4885KMT2A 462/4885

“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.