SCHEMBL4337193

SCHEMBL4337193

COC(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
NPC1 O15118 4/20 0.75
ALDH1A1 P00352 4/20 0.75
LTA4H P09960 9/20 0.72
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NOX1 Q9Y5S8 1/20 0.60

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
SCHEMBL3502865 0.86 MEN1 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1LTA4H
SCHEMBL2170643 0.85 LTA4H (0.76) RAB9ASMN1; SMN2NPC1ALDH1A1LTA4H
SCHEMBL23273969 0.85 LTA4H (0.65) RAB9ALTA4HMEN1KMT2A
SCHEMBL3505091 0.84 MAOB (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3505916 0.84 LTA4H (0.78) RAB9ASMN1; SMN2NPC1ALDH1A1LTA4H
SCHEMBL10118238 0.84 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1LTA4H
SCHEMBL21067416 0.84 LTA4H (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1LTA4H
SCHEMBL23636399 0.83 LTA4H (0.68) RAB9ASMN1; SMN2NPC1ALDH1A1LTA4H
SCHEMBL4337603 0.83 MAOB (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1LTA4H
SCHEMBL5659338 0.82 LTA4H (0.76) RAB9ASMN1; SMN2NPC1ALDH1A1LTA4H

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 16 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
CN-100482638-C N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2009-04-29 CN 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
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 (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 RAB9A 2591/4885SMN1; SMN2 933/4885NPC1 392/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 RAB9A 3058/4885SMN1; SMN2 3684/4885NPC1 738/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 RAB9A 2429/4885SMN1; SMN2 950/4885NPC1 436/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 RAB9A 2328/4885SMN1; SMN2 904/4885NPC1 1313/4885

“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.