SCHEMBL4579445

SCHEMBL4579445

O=C(O)c1ccc(N2CCC(N3CCOCC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
L3MBTL3 Q96JM7 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
L3MBTL4 Q8NA19 1/20 0.48
MAPT P10636 1/20 0.47
KMO O15229 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.43
GSK3B P49841 1/20 0.42
USP5 P45974 1/20 0.42
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CASR P41180 1/20 0.41
NOTUM Q6P988 3/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL1663610 0.91 USP2 (0.60) USP2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1393568 0.83 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL30581881 0.82 L3MBTL3 (0.47) L3MBTL3L3MBTL1MAPTUSP5SMN1; SMN2
SCHEMBL6125963 0.81 USP2 (0.51) USP2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL14155954 0.81 GPR119 (0.45) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL15951981 0.79 L3MBTL3 (0.73) USP2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL6270469 0.78 HRH3 (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL60648 0.78 KMO (0.67) USP2L3MBTL1MAPTKMOKDM4E
Hydrochloric Acid SCHEMBL723578 0.78 L3MBTL3 (0.67) USP2L3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL725466 0.78 L3MBTL3 (0.71) USP2L3MBTL3L3MBTL1MBTD1TP53BP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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 (1 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 USP2 930/4885L3MBTL3 1628/4885L3MBTL1 1291/4885

“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.