SCHEMBL210424

SCHEMBL210424

Nc1ccccc1NC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC3 O15379 3/20 0.54
MAPK1 P28482 1/20 0.54
PIM3 Q86V86 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
NCOR2 Q9Y618 1/20 0.52
PTPN1 P18031 6/20 0.52
HPGD P15428 2/20 0.50
PTGS1 P23219 1/20 0.50
MPL P40238 1/20 0.49
AKR1B1 P15121 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 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
SCHEMBL210423 1.00 PIM1 (0.54) PIM1HDAC2HDAC1HDAC3MAPK1
SCHEMBL209910 0.91 HPGD (0.57) PIM1HDAC2HDAC1HDAC3PIM2
SCHEMBL209912 0.91 HPGD (0.57) PIM1HDAC2HDAC1HDAC3PIM2
SCHEMBL209911 0.91 HPGD (0.57) PIM1HDAC2HDAC1HDAC3PIM2
SCHEMBL211425 0.80 PIM1 (0.54) PIM1PIM3PIM2PTPN1HPGD
SCHEMBL211424 0.80 PIM1 (0.54) PIM1PIM3PIM2PTPN1HPGD
SCHEMBL6928856 0.77 AKR1B1 (0.60) PIM1PIM3PIM2AKR1B1HDAC4
SCHEMBL6928853 0.77 AKR1B1 (0.60) PIM1PIM3PIM2AKR1B1HDAC4
SCHEMBL8401704 0.77 HDAC1 (0.89) HDAC2HDAC1HDAC3MAPK1NCOR2
SCHEMBL8349329 0.76 HDAC1 (0.70) HDAC2HDAC1HDAC3MAPK1NCOR2

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 PIM1 2009/4885HDAC2 10/4885HDAC1 1/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2462/4885HDAC2 12/4885HDAC1 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.