SCHEMBL4337756

SCHEMBL4337756

NC(=O)CC(=O)Nc1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.63
CYP1A1 P04798 2/20 0.58
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
CA2 P00918 2/20 0.52
CYP3A4 P08684 2/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52
CA1 P00915 1/20 0.52
MB P02144 1/20 0.52
CA3 P07451 1/20 0.52
RARG P13631 1/20 0.52
TSHR P16473 1/20 0.52
ALOX5AP P20292 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
NR1I3 Q14994 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
SCHEMBL410774 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTCA2
SCHEMBL8373652 0.82 POLB (0.77) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL6832724 0.81 CYP1A1 (0.71) PEPDCYP1A1ALDH1A1MEN1KMT2A
SCHEMBL3659521 0.81 CA1 (0.61) PEPDCYP1A1ALDH1A1MEN1KMT2A
SCHEMBL1689279 0.81 KDM1A (0.69) MEN1KMT2AMAPTCYP3A4BRD4
SCHEMBL27937384 0.80 CYP1A1 (0.84) PEPDCYP1A1ALDH1A1MEN1KMT2A
SCHEMBL7829396 0.80 CA12 (0.53) ALDH1A1MEN1KMT2ACA2CA12
SCHEMBL14075487 0.79 MAPT (0.65) PEPDCYP1A1ALDH1A1MEN1KMT2A
SCHEMBL1929307 0.78 CYP1A1 (0.62) PEPDCYP1A1ALDH1A1MEN1KMT2A
SCHEMBL1322717 0.78 PEPD (1.00) PEPDCYP1A1ALDH1A1MEN1KMT2A

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 PEPD 2221/4885CYP1A1 53/4885ALDH1A1 606/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 PEPD 2112/4885CYP1A1 60/4885ALDH1A1 583/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 PEPD 2177/4885CYP1A1 65/4885ALDH1A1 972/4885

“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.