SCHEMBL210571

SCHEMBL210571

CN(C)CCOc1cc2[nH]c(C(S)c3ccc(C(=O)O)cc3)nc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ALOX5 P09917 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
F9 P00740 1/20 0.35
TTR P02766 2/20 0.35
ALB P02768 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CHEK2 O96017 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDR P35968 1/20 0.33
CDK2 P24941 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL212014 0.84 HDAC1 (0.44)
SCHEMBL210928 0.81 EGLN1 (0.45) MLKLEGLN1ALOX5TDP1EPHX2
SCHEMBL210572 0.78 ALOX5 (0.61) ALOX5KDM4EALDH1A1TDP1EPHX2
SCHEMBL210355 0.78 MLKL (0.50) MLKLEGLN1F9CHEK2TDP1
SCHEMBL211294 0.75 EGLN1 (0.49) MLKLEGLN1ALOX5F9CHEK2
SCHEMBL210918 0.73 ACHE (0.39) EGLN1ROCK2KDM4EKDR
SCHEMBL1065417 0.71 MLKL (0.47) MLKLEGLN1CHEK2KDM4EALDH1A1
SCHEMBL21017900 0.66 CHEK2 (0.43) EGLN1ALOX5CHEK2KDM4E
SCHEMBL20982546 0.66 CHEK2 (0.53) ALOX5CHEK2KDM4EALDH1A1KDR
SCHEMBL4553035 0.64 FLT3 (0.41) THRATHRBKDM4EALDH1A1

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 MLKL 2383/4885EGLN1 425/4885ALOX5 3601/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MLKL 3184/4885EGLN1 587/4885ALOX5 3075/4885

“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.