SCHEMBL4346816

SCHEMBL4346816

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(OCc2ccc(F)cc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
HDAC1 Q13547 2/20 0.46
MAOA P21397 2/20 0.44
HDAC2 Q92769 1/20 0.41
KCNQ4 P56696 2/20 0.41
KCNQ5 Q9NR82 2/20 0.41
PTPN1 P18031 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.40
AURKB Q96GD4 1/20 0.40
NR4A2 P43354 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL3502880 0.86 MAOB (0.57) MAOBHDAC1MAOAHDAC2POLB
SCHEMBL3504794 0.81 MAOB (0.51) MAOBHDAC1MAOAHDAC2POLB
SCHEMBL3506683 0.79 MAOB (0.56) MAOBHDAC1MAOAHDAC2NR4A2
SCHEMBL4339933 0.79 MAOB (0.55) MAOBHDAC1MAOAHDAC2POLB
SCHEMBL4338672 0.78 MAOB (0.51) MAOBMAOAMAPK13MAPK14
SCHEMBL1578374 0.78 MAOB (0.57) MAOBHDAC1MAOAHDAC2KCNQ4
SCHEMBL3504655 0.78 MAOB (0.54) MAOBHDAC1MAOAHDAC2POLB
SCHEMBL17238964 0.77 MAPT (0.45) POLBEGFRAURKB
SCHEMBL4340508 0.76 MAOB (0.53) MAOBHDAC1MAOAHDAC2KCNQ4
SCHEMBL4345613 0.76 MAOB (0.53) MAOBHDAC1MAOAHDAC2NR4A2

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 6 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
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 (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 MAOB 1/4885HDAC1 342/4885MAOA 2/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAOB 1/4885HDAC1 329/4885MAOA 2/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885HDAC1 338/4885MAOA 2/4885

“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.