SCHEMBL4579936

SCHEMBL4579936

Nc1ccc(-c2cccs2)cc1NC(=O)C=CC=C1CCN(Cc2ccc3c(c2)OCO3)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.52
HDAC2 Q92769 15/20 0.52
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HDAC3 O15379 14/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL4579926 1.00 HDAC1 (0.52) HDAC1HDAC2DRD2DRD4HDAC3
SCHEMBL4580468 1.00 HDAC1 (0.52) HDAC1HDAC2DRD2DRD4HDAC3
SCHEMBL4579931 1.00 HDAC1 (0.52) HDAC1HDAC2DRD2DRD4HDAC3
SCHEMBL4581067 0.91 DRD2 (0.48) HDAC1HDAC2DRD2DRD4SMN1; SMN2
SCHEMBL4581049 0.91 DRD2 (0.48) HDAC1HDAC2DRD2DRD4SMN1; SMN2
SCHEMBL4581057 0.91 DRD2 (0.48) HDAC1HDAC2DRD2DRD4SMN1; SMN2
SCHEMBL8228556 0.87 HDAC1 (0.52) HDAC1HDAC2DRD2DRD4HDAC3
SCHEMBL14155947 0.87 DRD2 (0.44) HDAC1HDAC2DRD2DRD4HDAC3
SCHEMBL4581062 0.81 DRD2 (0.51) HDAC1HDAC2DRD2DRD4HDAC3
SCHEMBL4579860 0.80 HDAC1 (0.63) HDAC1HDAC2DRD2DRD4HDAC3

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 HDAC1 1/4885HDAC2 5/4885DRD2 4756/4885

“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.