SCHEMBL4579945

SCHEMBL4579945

Nc1cc(C2=CC(=O)CC2)ccc1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
ABCC1 P33527 2/20 0.38
AAK1 Q2M2I8 4/20 0.36
HDAC1 Q13547 7/20 0.35
HDAC2 Q92769 5/20 0.34
HDAC3 O15379 4/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8229079 0.81 AAK1 (0.42) ABCB1ABCC1AAK1HDAC1HDAC2
SCHEMBL4580218 0.79 ABCC1 (0.44) ABCB1ABCC1MAPTMAPK1
SCHEMBL13737286 0.76 HDAC2 (0.60) HDAC1HDAC2HDAC3
SCHEMBL651882 0.73 HDAC1 (0.57) ABCB1ABCC1HDAC1HDAC2HDAC3
SCHEMBL13735115 0.71 HDAC1 (0.55) ABCB1ABCC1HDAC1HDAC2HDAC3
SCHEMBL7467565 0.70 AAK1 (0.61) ABCB1ABCC1AAK1HDAC1HDAC2
SCHEMBL7466561 0.70 GSK3B (0.39) ABCB1ABCC1AAK1HDAC1HDAC2
SCHEMBL20163155 0.68 HDAC2 (0.58) ABCB1ABCC1HDAC1HDAC2HDAC3
SCHEMBL975555 0.68 KCNH2 (0.56) ABCB1AAK1HDAC1MAPT
SCHEMBL13735378 0.68 HDAC1 (0.52) ABCB1ABCC1HDAC1HDAC2HDAC3

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 5 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
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 ABCB1 4043/4885ABCC1 3326/4885AAK1 2271/4885

“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.