SCHEMBL3582613

SCHEMBL3582613

COC(=O)CCCCCC(OCc1ccc(Br)cc1)C(=O)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 13/20 0.68
HDAC8 Q9BY41 5/20 0.68
HDAC3 O15379 4/20 0.68
HDAC1 Q13547 4/20 0.68
HDAC6 Q9UBN7 4/20 0.68
HDAC4 P56524 2/20 0.68
HDAC7 Q8WUI4 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KLK7 P49862 1/20 0.42

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
SCHEMBL8156566 0.91 HDAC2 (0.74) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL3575217 0.90 HDAC2 (0.67) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL3585443 0.89 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL3577817 0.89 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL3590664 0.89 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL3575187 0.89 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL8152753 0.88 HDAC2 (0.85) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL8153298 0.88 HDAC2 (0.79) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL3591434 0.87 HDAC2 (0.62) HDAC2HDAC8HDAC3HDAC1HDAC6
SCHEMBL3579758 0.85 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
EP-2137169-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-12-30 EP disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 WO disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH HDAC2 27/4885HDAC8 51/4885HDAC3 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.