SCHEMBL5556359

SCHEMBL5556359

CCOC(=O)CC(CC(C)C)C(=O)NCc1ccc(-c2ccccn2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5556786 0.85 MMP9 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5552597 0.82 SCN9A (0.45) LMNAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5558599 0.72 MMP9 (0.57) HDAC1HSD17B10RAB9ANPC1MMP2
SCHEMBL8207550 0.71 HDAC3 (0.43) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9373354 0.70 HDAC3 (0.51) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5552855 0.69 ERAP2 (0.59) HSD17B10MMP2MMP9MMP8
SCHEMBL5552391 0.69 HDAC1 (0.48) ALDH1A1HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL13185669 0.68 KDM4E (0.61) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5558596 0.68 CTSD (0.49) ALDH1A1MAPTGAAMMP9MMP8
SCHEMBL6184437 0.67 CTSL (0.63) CTSLCTSK

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 LMNA 602/4885ALDH1A1 4059/4885HDAC3 969/4885

“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.