SCHEMBL211118

SCHEMBL211118

O=C(O)c1ccc(CNc2nc3cc(F)c(F)cc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.57
VNN1 O95497 2/20 0.49
HDAC1 Q13547 2/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
LYN P07948 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT1 P31749 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
IRAK1 P51617 1/20 0.44
PRKX P51817 1/20 0.44
NEK4 P51957 1/20 0.44
PRKCD Q05655 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL8292762 0.82 HSD17B10 (0.67) HSD17B10HDAC1ROCK2MAP4K4PRKCG
SCHEMBL4972706 0.81 NPC1 (0.62) HSD17B10HDAC1NPC1RAB9ACSNK1D
SCHEMBL213443 0.81 HDAC1 (0.76) HDAC1
SCHEMBL5583477 0.76 HSD17B10 (0.61) HSD17B10HDAC1CSNK1DDYRK1ACACNA1B
SCHEMBL1058492 0.75 TRPV1 (0.49) HSD17B10HDAC1NPC1RAB9AVCP
SCHEMBL1067284 0.73 AURKB (0.71) HSD17B10HDAC1AURKBCACNA1B
SCHEMBL5583466 0.72 RAB9A (0.67) HSD17B10HDAC1NPC1RAB9A
SCHEMBL5583220 0.71 RAB9A (0.64) HSD17B10VNN1NPC1RAB9AROCK2
SCHEMBL2246286 0.70 HDAC6 (0.47) HSD17B10NPC1RAB9AMEN1KMT2A
SCHEMBL29603804 0.70 HDAC6 (0.47) HSD17B10NPC1RAB9AMEN1KMT2A

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 HSD17B10 860/4885VNN1 2770/4885HDAC1 1/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HSD17B10 824/4885VNN1 2936/4885HDAC1 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.