SCHEMBL4580187

SCHEMBL4580187

Nc1ccc(-c2ccc(F)c(F)c2)cc1NC(=O)c1cc2ccc(OCCN3CCOCC3)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
HDAC1 Q13547 11/20 0.47
HDAC2 Q92769 8/20 0.46
HDAC3 O15379 5/20 0.46
EPHX2 P34913 2/20 0.44
AURKB Q96GD4 1/20 0.42
MAPK14 Q16539 2/20 0.42
MMP13 P45452 1/20 0.41
KDR P35968 1/20 0.41
ATF4 P18848 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
SCHEMBL4579934 0.93 HDAC1 (0.51) CYP1A2HDAC1HDAC2HDAC3EPHX2
SCHEMBL4579712 0.90 HDAC1 (0.55) CYP1A2HDAC1HDAC2HDAC3MAPK14
SCHEMBL4581195 0.89 HDAC1 (0.53) CYP1A2HDAC1HDAC2HDAC3
SCHEMBL4578142 0.86 HDAC1 (0.51) HDAC1HDAC2HDAC3EPHX2AURKB
SCHEMBL1063437 0.85 HDAC1 (0.54) CYP1A2HDAC1HDAC2HDAC3
SCHEMBL4581240 0.84 HDAC1 (0.55) HDAC1HDAC2HDAC3MAPK14MMP13
SCHEMBL4579495 0.81 MAOB (0.48) CYP1A2HDAC1HDAC2HDAC3
SCHEMBL4578645 0.79 HDAC1 (0.47) HDAC1HDAC2HDAC3ATF4
SCHEMBL4577533 0.76 BACE1 (0.48) HDAC1HDAC2HDAC3KDR
SCHEMBL4580368 0.76 HDAC1 (0.48) HDAC1HDAC2HDAC3

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-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
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 CYP1A2 4430/4885HDAC1 1/4885HDAC2 5/4885

“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.