SCHEMBL212876

SCHEMBL212876

Nc1ccccc1NC(=O)c1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.78
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HDAC3 O15379 7/20 0.55
HDAC2 Q92769 7/20 0.55
NCOR1 O75376 5/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
NCOR2 Q9Y618 1/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
ALOX5 P09917 1/20 0.50

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
SCHEMBL211608 0.93 HDAC1 (0.73) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL1060859 0.88 HDAC1 (1.00) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL210720 0.87 HDAC1 (0.79) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL212015 0.85 HDAC1 (0.64) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL1065501 0.84 HDAC1 (0.87) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL4974039 0.83 HDAC1 (0.80) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL4971463 0.81 HDAC1 (0.76) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL12963075 0.81 HDAC1 (0.55) HDAC1HDAC3HDAC2
SCHEMBL210929 0.80 ALOX5 (0.72) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL1068600 0.79 HDAC1 (0.54) HDAC1HDAC3HDAC2

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 HDAC1 1/4885ALDH1A1 680/4885MAPT 3612/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885ALDH1A1 758/4885MAPT 3905/4885

“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.