SCHEMBL209464

SCHEMBL209464

CC(=O)c1ccc(C(=O)N(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.46
P4HA1 P13674 1/20 0.46
MIF P14174 1/20 0.46
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
KCNJ1 P48048 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL211416 0.85 P4HTM (0.66) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL22182995 0.84 NNMT (0.52) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL5365695 0.82 P4HTM (0.54) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL30269694 0.82 P4HTM (0.54) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL6592083 0.81 MAPK1 (0.72) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL7929431 0.81 P4HTM (0.42) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL1585449 0.79 P4HTM (0.73) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL4600085 0.77 KMT2A (0.50) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL8404723 0.77 P4HTM (0.48) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL1976172 0.77 PIK3CD (0.43) P4HTMP4HA1MIFMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 P4HTM 3657/4885P4HA1 969/4885MIF 1464/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 P4HTM 3597/4885P4HA1 813/4885MIF 865/4885

“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.