SCHEMBL4039814

SCHEMBL4039814

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2cccnc2)CCCCC1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
KCNH2 Q12809 2/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR132 Q9UNW8 1/20 0.32
RAB9A P51151 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4039472 0.90 HDAC1 (0.35) HDAC1HDAC3HDAC2DPP4PREP
SCHEMBL4040909 0.88 GPR132 (0.36) HDAC1HDAC3HDAC2DPP4PREP
SCHEMBL4042382 0.88 HDAC1 (0.35) HDAC1HDAC2DPP4PREPKCNH2
SCHEMBL4043534 0.87 CTSK (0.39) DPP4PREPLMNAALDH1A1MAPT
SCHEMBL4042029 0.85 GPR132 (0.38) DPP4PREPALDH1A1RECQLGPR132
SCHEMBL4043621 0.84 CTSK (0.39) HDAC1DPP4PREPKCNH2DRD2
SCHEMBL4048563 0.83 HDAC1 (0.40) HDAC1HDAC3HDAC2DPP4PREP
SCHEMBL4043068 0.82 HDAC1 (0.36) HDAC1HDAC3HDAC2DPP4PREP
SCHEMBL4044150 0.81 MEN1 (0.37) HDAC1DPP4PREPKCNH2LMNA
SCHEMBL6209625 0.81 HDAC1 (0.35) HDAC1HDAC3DPP4PREPKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS HDAC1 261/4885HDAC3 206/4885HDAC2 403/4885

“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.