SCHEMBL4039472

SCHEMBL4039472

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.35
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
MEN1 O00255 3/20 0.35
ALOX15 P16050 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
KCNQ1 P51787 1/20 0.35
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
GBA1 P04062 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4039814 0.90 HDAC1 (0.36) HDAC1DPP4PREPMEN1KMT2A
SCHEMBL4040909 0.89 GPR132 (0.36) HDAC1DPP4PREPHDAC3HDAC2
SCHEMBL4044150 0.88 MEN1 (0.37) HDAC1DPP4PREPMEN1ALOX15
SCHEMBL4043621 0.86 CTSK (0.39) HDAC1DPP4PREPKCNH2CHRM4
SCHEMBL4038260 0.86 CTSK (0.38) KMT2ATP53KDM4EHTTLMNA
SCHEMBL4041246 0.85 MMP1 (0.38) SMN1; SMN2TP53KDM4EHTTKCNQ1
SCHEMBL4048563 0.84 HDAC1 (0.40) HDAC1DPP4PREPHDAC3HDAC2
SCHEMBL4042382 0.83 HDAC1 (0.35) HDAC1DPP4PREPMEN1ALOX15
SCHEMBL6209625 0.83 HDAC1 (0.35) HDAC1DPP4PREPMEN1ALOX15
SCHEMBL4043068 0.83 HDAC1 (0.36) HDAC1DPP4PREPTSHRLMNA

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 8 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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS HDAC1 261/4885DPP4 3448/4885PREP 1823/4885

“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.