SCHEMBL4579272

SCHEMBL4579272

Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CC[C@H](NC(=O)C(F)(F)F)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.55
MCHR1 Q99705 2/20 0.54
HDAC2 Q92769 7/20 0.53
HDAC3 O15379 3/20 0.53
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4579278 1.00 HDAC1 (0.55) HDAC1MCHR1HDAC2HDAC3KCNH2
SCHEMBL4579686 0.88 MCHR1 (0.59) HDAC1MCHR1HDAC2HDAC3
SCHEMBL4579690 0.88 MCHR1 (0.59) HDAC1MCHR1HDAC2HDAC3
SCHEMBL4579732 0.87 HDAC1 (0.54) HDAC1MCHR1HDAC2HDAC3
SCHEMBL4579736 0.87 HDAC1 (0.54) HDAC1MCHR1HDAC2HDAC3
SCHEMBL4578941 0.86 MCHR1 (0.57) HDAC1MCHR1HDAC2HDAC3
SCHEMBL4578936 0.86 MCHR1 (0.57) HDAC1MCHR1HDAC2HDAC3
SCHEMBL4580031 0.85 HDAC2 (0.61) HDAC1MCHR1HDAC2HDAC3KCNH2
SCHEMBL4580035 0.85 HDAC2 (0.61) HDAC1MCHR1HDAC2HDAC3KCNH2
SCHEMBL4578175 0.84 MCHR1 (0.58) HDAC1MCHR1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US claimed
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 HDAC1 1/4885MCHR1 4290/4885HDAC2 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.