SCHEMBL4579772

SCHEMBL4579772

CC(=O)Oc1cccc(C(=O)N(NC(=O)OC(C)(C)C)c2cccc(-c3cccs3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CCKAR P32238 1/20 0.39
HTR5A P47898 1/20 0.39
ALDH1A1 P00352 3/20 0.37
GPR119 Q8TDV5 1/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
GFER P55789 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL5767875 0.92 GPR119 (0.42) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL4578184 0.80 MEN1 (0.45) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL4505385 0.79 GPR119 (0.41) HTR1AADORA3CCKARHTR5AALDH1A1
SCHEMBL4518353 0.78 GPR119 (0.40) MEN1KMT2AHTR1AADORA3CCKAR
SCHEMBL4578927 0.78 TNFRSF1A (0.46) HTR1AADORA3CCKARHTR5AALDH1A1
SCHEMBL4580585 0.78 FFAR1 (0.50) MEN1KMT2AHTR1AADORA3CCKAR
SCHEMBL975476 0.78 MAPT (0.38) RAB9AMEN1KMT2AHTR1AADORA3
SCHEMBL2207150 0.78 HDAC1 (0.42) ALDH1A1GPR119POLB
SCHEMBL2205914 0.75 HDAC1 (0.54) GPR119
SCHEMBL4579767 0.75 MEN1 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1

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 NPC1 1197/4885RAB9A 2909/4885MEN1 2635/4885

“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.