SCHEMBL5556786

SCHEMBL5556786

CC(C)CC(CC(=O)NO)C(=O)NCc1ccc(-c2ccccn2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.49
MMP8 P22894 13/20 0.49
MMP2 P08253 11/20 0.49
MMP1 P03956 7/20 0.48
FCER2 P06734 3/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MMP3 P08254 5/20 0.43
MMP7 P09237 5/20 0.43
MMP14 P50281 1/20 0.43
MMP12 P39900 1/20 0.43

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
SCHEMBL5556359 0.85 LMNA (0.43) MMP9MMP8MMP2HDAC3HDAC4
SCHEMBL5552363 0.81 SCN9A (0.47) MMP9MMP8MMP2MMP1FCER2
SCHEMBL9373354 0.72 HDAC3 (0.51) MMP8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8207550 0.71 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3037665 0.70 HDAC1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5558630 0.70 MMP9 (0.80) MMP9MMP8MMP2MMP1FCER2
SCHEMBL5557538 0.70 MMP9 (0.80) MMP9MMP8MMP2MMP1FCER2
SCHEMBL5558617 0.70 MMP9 (0.60) MMP9MMP8MMP2MMP1FCER2
SCHEMBL5556464 0.70 MMP9 (0.60) MMP9MMP8MMP2MMP1FCER2
SCHEMBL5556468 0.70 MMP9 (0.60) MMP9MMP8MMP2MMP1FCER2

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-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF MMP9 182/4885MMP8 24/4885MMP2 85/4885

“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.