SCHEMBL209249

SCHEMBL209249

Nc1ccccc1NC(=O)c1ccc(OCCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.58
FFAR1 O14842 7/20 0.56
HDAC1 Q13547 6/20 0.55
HDAC3 O15379 4/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC8 Q9BY41 3/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
PPARA Q07869 1/20 0.50
MAPT P10636 1/20 0.50
MPC2 O95563 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
NCOR1 O75376 2/20 0.48

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
SCHEMBL210878 0.93 MAPT (0.58) PPARGHDAC1HDAC3HDAC2HDAC8
SCHEMBL1072226 0.80 FFAR1 (0.77) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL210575 0.79 PPARG (0.68) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL212178 0.78 PPARG (0.68) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL209910 0.77 HPGD (0.57) HDAC1HDAC3HDAC2
SCHEMBL209911 0.77 HPGD (0.57) HDAC1HDAC3HDAC2
SCHEMBL209912 0.77 HPGD (0.57) HDAC1HDAC3HDAC2
SCHEMBL12515224 0.77 FFAR1 (0.69) PPARGFFAR1PPARA
SCHEMBL8304596 0.76 FFAR1 (0.65) PPARGFFAR1PPARAMAPTMPC2
SCHEMBL4863080 0.76 FFAR1 (0.67) PPARGFFAR1PPARAMAPTMPC2

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 PPARG 1899/4885FFAR1 4362/4885HDAC1 1/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PPARG 1875/4885FFAR1 4354/4885HDAC1 1/4885

“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.