SCHEMBL2840964

SCHEMBL2840964

O=C(NO)C(c1ccc2c(c1)CCO2)c1ccc2c(c1)CCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 1.00
HDAC7 Q8WUI4 5/20 1.00
HDAC5 Q9UQL6 5/20 1.00
HDAC3 O15379 4/20 1.00
HDAC1 Q13547 4/20 1.00
HDAC2 Q92769 4/20 1.00
HDAC8 Q9BY41 4/20 1.00
HDAC6 Q9UBN7 4/20 1.00
HDAC10 Q969S8 3/20 1.00
HDAC11 Q96DB2 3/20 1.00
HDAC9 Q9UKV0 3/20 1.00
ACACB O00763 1/20 0.47
FFAR1 O14842 1/20 0.45
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
PRKCI P41743 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL2839912 0.87 HDAC6 (0.75) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL2842912 0.86 HDAC3 (0.73) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL2841856 0.84 HDAC3 (0.72) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL13789557 0.83 HDAC3 (0.70) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490512 0.82 HDAC4 (0.69) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL22917236 0.81 HDAC3 (0.68) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL2883071 0.81 HDAC3 (0.68) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL23031180 0.79 HDAC3 (0.65) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL23032105 0.78 HDAC3 (0.63) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL11464355 0.76 HDAC3 (0.61) HDAC4HDAC7HDAC5HDAC3HDAC1

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
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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 (1 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC4 10/4885HDAC7 7/4885HDAC5 4/4885

“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.