SCHEMBL3844331

SCHEMBL3844331

CCCCCC(C(=O)NO)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 8/20 0.60
HDAC1 Q13547 8/20 0.60
HDAC8 Q9BY41 6/20 0.52
HDAC3 O15379 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC2 Q92769 3/20 0.52
NAAA Q02083 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
POLB P06746 1/20 0.50
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP14 P50281 1/20 0.50
HDAC4 P56524 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MMP8 P22894 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4858087 0.84 ASAH1 (0.49) NAAAPOLBALDH1A1ASAH1ACER2
SCHEMBL16684953 0.84 HDAC1 (0.48) HDAC7HDAC1HDAC8HDAC3HDAC6
SCHEMBL9007149 0.84 NAAA (0.51) HDAC7HDAC1HDAC8HDAC3HDAC6
Methane SCHEMBL9007169 0.83 NAAA (0.50) HDAC7HDAC1HDAC8HDAC3HDAC6
SCHEMBL22471826 0.83 NAAA (0.51) NAAAMMP2MMP9POLBMMP1
SCHEMBL22471835 0.83 NAAA (0.51) NAAAMMP2MMP9POLBMMP1
SCHEMBL22471814 0.83 NAAA (0.51) NAAAMMP2MMP9POLBMMP1
SCHEMBL22471868 0.83 NAAA (0.51) NAAAMMP2MMP9POLBMMP1
SCHEMBL4444443 0.83 TBXAS1 (0.51) NAAAPOLBALDH1A1ASAH1ACER2
SCHEMBL1911433 0.83 TBXAS1 (0.51) NAAAPOLBALDH1A1ASAH1ACER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 US 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 (2 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-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D HDAC7 1262/4885HDAC1 2205/4885HDAC8 1366/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 HDAC7 1034/4885HDAC1 1074/4885HDAC8 1125/4885

“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.