SCHEMBL4577912

SCHEMBL4577912

NN(C(=O)c1ccc(C(=O)O)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PTPN1 P18031 1/20 0.40
KAT6A Q92794 1/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC3 O15379 4/20 0.40
HDAC2 Q92769 4/20 0.40
HPGDS O60760 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CCKAR P32238 1/20 0.38
HTR5A P47898 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL4579984 0.85 NPC1 (0.46) KDM4EMAPTABL1BCRHDAC1
SCHEMBL4578969 0.85 FFAR1 (0.56) HDAC1HPGDSCHRM4
SCHEMBL4579133 0.85 HDAC2 (0.47) ABL1BCRKAT6AHDAC1HDAC3
SCHEMBL4311941 0.85 KCNH2 (0.39) ABL1BCRKAT6AHDAC1HDAC3
SCHEMBL1066509 0.83 HDAC3 (0.41) KDM4EMAPTABL1BCRHDAC1
SCHEMBL2209356 0.81 HDAC1 (0.59) HDAC1HDAC3HDAC2HPGDS
SCHEMBL4578416 0.80 FFAR1 (0.46) HDAC1HDAC3HDAC2
SCHEMBL4579566 0.79 FFAR1 (0.53) KDM4EMAPTKAT6AHDAC1HDAC3
SCHEMBL4312315 0.79 KCNH2 (0.41) KDM4EABL1BCRKAT6AHDAC1
SCHEMBL2206396 0.79 HDAC1 (0.49) HDAC1HDAC2

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 KDM4E 123/4885MAPT 2110/4885ABL1 1873/4885

“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.