SCHEMBL2839652

SCHEMBL2839652

O=C(NO)C(c1ccc(N2CCCC2)cc1)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.68
HDAC7 Q8WUI4 4/20 0.68
HDAC5 Q9UQL6 4/20 0.68
MAPT P10636 7/20 0.54
NPSR1 Q6W5P4 3/20 0.54
USP2 O75604 1/20 0.54
ESR1 P03372 1/20 0.54
NR4A1 P22736 1/20 0.54
KMT2A Q03164 1/20 0.54
PTK2B Q14289 1/20 0.54
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
TP53 P04637 3/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HDAC6 Q9UBN7 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 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
SCHEMBL2841130 0.90 HDAC4 (0.64) HDAC4HDAC7HDAC5MAPTNPSR1
SCHEMBL4534220 0.87 HDAC4 (0.68) HDAC4HDAC7HDAC5MAPTNPSR1
SCHEMBL2840798 0.85 MAPT (0.72) HDAC4HDAC7HDAC5MAPTNPSR1
SCHEMBL20490210 0.84 MAPT (0.70) HDAC4HDAC7HDAC5MAPTNPSR1
SCHEMBL2843817 0.84 MAPT (0.70) HDAC4HDAC7HDAC5MAPTNPSR1
SCHEMBL4531998 0.83 MAPT (0.68) HDAC4HDAC7HDAC5MAPTNPSR1
SCHEMBL4536216 0.82 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC6HDAC3
SCHEMBL4541618 0.82 MAPT (0.54) HDAC4HDAC7HDAC5MAPTNPSR1
SCHEMBL2848507 0.82 HDAC4 (0.64) HDAC4HDAC7HDAC5MAPTNPSR1
SCHEMBL20490319 0.82 KMT2A (0.59) HDAC4HDAC7HDAC5MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
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.