SCHEMBL209911

SCHEMBL209911

Nc1ccccc1NC(=O)c1ccc(OCCOc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.57
CISD1 Q9NZ45 3/20 0.54
PIM1 P11309 2/20 0.53
PIM2 Q9P1W9 2/20 0.53
GPR35 Q9HC97 1/20 0.52
PTPN1 P18031 1/20 0.51
POLB P06746 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL209910 1.00 HPGD (0.57) HPGDCISD1PIM1PIM2GPR35
SCHEMBL209912 1.00 HPGD (0.57) HPGDCISD1PIM1PIM2GPR35
SCHEMBL210423 0.91 PIM1 (0.54) HPGDPIM1PIM2PTPN1HDAC1
SCHEMBL210424 0.91 PIM1 (0.54) HPGDPIM1PIM2PTPN1HDAC1
SCHEMBL212733 0.78 GPR35 (0.70) HPGDCISD1PIM1PIM2GPR35
SCHEMBL212735 0.78 GPR35 (0.70) HPGDCISD1PIM1PIM2GPR35
SCHEMBL212734 0.78 GPR35 (0.70) HPGDCISD1PIM1PIM2GPR35
SCHEMBL9326177 0.78 HPGD (0.80) HPGDCISD1PIM1PIM2GPR35
SCHEMBL9326976 0.78 HPGD (0.80) HPGDCISD1PIM1PIM2GPR35
SCHEMBL2733862 0.77 PIM1 (0.81) HPGDCISD1PIM1PIM2GPR35

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 6 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-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
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

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 HPGD 1120/4885CISD1 2177/4885PIM1 2009/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HPGD 971/4885CISD1 2529/4885PIM1 2462/4885

“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.