SCHEMBL1064845

SCHEMBL1064845

COC(=O)c1ccc(CNc2nc3cc(-c4cc(OC)c(OC)c(OC)c4)ccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.48
HDAC1 Q13547 1/20 0.43
MAPT P10636 6/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CSNK1D P48730 3/20 0.43
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL13074270 0.85 RAB9A (0.49) RAB9AKDM4ESMN1; SMN2NPC1HDAC1
SCHEMBL1064840 0.84 HDAC1 (0.67) HDAC1
SCHEMBL3561975 0.80 DYRK1A (0.54) RAB9AKDM4ESMN1; SMN2NPC1HDAC1
SCHEMBL8349163 0.78 HDAC1 (0.49) RAB9AKDM4ESMN1; SMN2NPC1HDAC1
SCHEMBL4971075 0.78 NPC1 (0.63) RAB9AKDM4ESMN1; SMN2NPC1HDAC1
SCHEMBL8349335 0.77 HDAC1 (0.60) HDAC1
SCHEMBL1064848 0.76 HDAC1 (0.68) RAB9ASMN1; SMN2NPC1HDAC1CSNK1D
SCHEMBL1066716 0.75 CYP2C9 (0.55) RAB9AKDM4ESMN1; SMN2NPC1HDAC1
SCHEMBL5583396 0.74 HSD17B10 (0.60) RAB9AKDM4ESMN1; SMN2NPC1HDAC1
SCHEMBL30426449 0.69 CSNK1D (0.62) RAB9ASMN1; SMN2NPC1CSNK1D

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (4 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885KDM4E 123/4885SMN1; SMN2 3671/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885KDM4E 123/4885SMN1; SMN2 3671/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885KDM4E 123/4885SMN1; SMN2 3671/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885KDM4E 123/4885SMN1; SMN2 3671/4885

“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.