SCHEMBL4342245

SCHEMBL4342245

COC(=O)CC(=O)Nc1ccc(/C=C/c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.58
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.56
TP53 P04637 2/20 0.56
MMP1 P03956 2/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56

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
SCHEMBL4342248 1.00 ALDH1A1 (0.63) ALDH1A1HTTL3MBTL1HDAC3HDAC4
SCHEMBL4332975 0.85 ALDH1A1 (0.58) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4332978 0.85 ALDH1A1 (0.58) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL9313874 0.82 L3MBTL1 (0.76) ALDH1A1HTTL3MBTL1HDAC3HDAC4
SCHEMBL10631419 0.81 TSHR (0.68) ALDH1A1HTTL3MBTL1HDAC3HDAC4
SCHEMBL4334990 0.78 KMT2A (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4334993 0.78 KMT2A (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL308447 0.77 L3MBTL1 (0.69) ALDH1A1HTTL3MBTL1HDAC3HDAC4
SCHEMBL1117828 0.77 L3MBTL1 (0.69) ALDH1A1HTTL3MBTL1HDAC3HDAC4
SCHEMBL11778837 0.76 GSK3B (0.87) HDAC3HDAC4HDAC1HDAC7HDAC2

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 12 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
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

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 ALDH1A1 606/4885HTT 995/4885L3MBTL1 1799/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ALDH1A1 664/4885HTT 1083/4885L3MBTL1 1079/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 ALDH1A1 583/4885HTT 868/4885L3MBTL1 1801/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 ALDH1A1 972/4885HTT 1206/4885L3MBTL1 1480/4885

“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.