SCHEMBL2841983

SCHEMBL2841983

CC(C)(C)c1ccc(C(=O)Nc2ccc(C(C(=O)NO)c3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.63
HDAC3 O15379 6/20 0.63
HDAC8 Q9BY41 6/20 0.63
HDAC11 Q96DB2 5/20 0.63
NR1H4 Q96RI1 3/20 0.62
KCNK9 Q9NPC2 1/20 0.56
TRPV1 Q8NER1 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC4 P56524 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
CYP2C9 P11712 2/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL20490328 0.89 KCNK9 (0.66) HDAC6HDAC3HDAC8HDAC11NR1H4
SCHEMBL2839655 0.88 HDAC2 (0.66) HDAC6HDAC3HDAC8HDAC11NPC1
SCHEMBL2844396 0.87 NPC1 (0.65) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL2848079 0.87 NPC1 (0.63) HDAC6HDAC3HDAC8HDAC11NPC1
SCHEMBL8117004 0.86 HDAC2 (0.62) HDAC6HDAC3HDAC8HDAC11NPC1
SCHEMBL2839321 0.84 RAB9A (0.63) HDAC6HDAC3HDAC8HDAC11KCNK9
SCHEMBL2842539 0.84 HDAC4 (0.62) HDAC6HDAC3HDAC8HDAC11NPC1
SCHEMBL2848671 0.84 POLB (0.56) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL2840176 0.84 KCNK3 (0.56) HDAC6HDAC3HDAC8HDAC11RAB9A
SCHEMBL2847561 0.82 HTT (0.63) HDAC6HDAC3HDAC8HDAC11RAB9A

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 9 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
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
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 HDAC6 9/4885HDAC3 3/4885HDAC8 11/4885

“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.