SCHEMBL4579405

SCHEMBL4579405

Nc1cc(-c2ccc(Cl)s2)ccc1NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.54
HDAC1 Q13547 7/20 0.54
HDAC3 O15379 5/20 0.54
HSD17B1 P14061 4/20 0.40
HSD17B2 P37059 3/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
PGR P06401 1/20 0.39
IKBKB O14920 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL13735344 0.89 HDAC2 (0.67) HDAC2HDAC1HDAC3
SCHEMBL197899 0.82 HDAC2 (0.49) HDAC2HDAC1HDAC3MAPTKDM4E
SCHEMBL4580957 0.79 ABCB1 (0.44) HDAC2HDAC1HDAC3RAB9AALDH1A1
SCHEMBL4580960 0.79 ABCB1 (0.44) HDAC2HDAC1HDAC3RAB9AALDH1A1
SCHEMBL15397932 0.76 HDAC2 (0.56) HDAC2HDAC1HDAC3
SCHEMBL976915 0.75 HDAC1 (0.60) HDAC2HDAC1HDAC3
SCHEMBL651882 0.73 HDAC1 (0.57) HDAC2HDAC1HDAC3MAPTKDM4E
SCHEMBL15624636 0.73 HDAC2 (0.58) HDAC2HDAC1HDAC3
SCHEMBL3953891 0.73 HDAC1 (0.55) HDAC1KDM4ERAB9AALDH1A1MEN1
SCHEMBL13735115 0.71 HDAC1 (0.55) HDAC2HDAC1HDAC3

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 HDAC2 5/4885HDAC1 1/4885HDAC3 3/4885

“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.