SCHEMBL4044150

SCHEMBL4044150

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccc[n+]([O-])c2)CCCCC1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALOX15 P16050 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 3/20 0.37
USP2 O75604 3/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
HDAC1 Q13547 3/20 0.36
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
CTSS P25774 2/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL4043991 0.89 HDAC1 (0.35) MEN1KMT2AALOX15SMN1; SMN2KDM4E
SCHEMBL4039472 0.88 HDAC1 (0.35) MEN1KMT2AALOX15SMN1; SMN2KDM4E
SCHEMBL4041130 0.86 CTSK (0.39) MEN1KMT2ASMN1; SMN2HTTCTSL
SCHEMBL4214143 0.85 DPP4 (0.36) HDAC1DPP4PREPCTSLCTSB
SCHEMBL4045068 0.85 MMP3 (0.36) SMN1; SMN2KDM4ECTSLCTSBCTSS
SCHEMBL4043621 0.84 CTSK (0.39) HDAC1DPP4PREPCTSLCTSS
SCHEMBL6209625 0.84 HDAC1 (0.35) MEN1KMT2AALOX15SMN1; SMN2KDM4E
SCHEMBL4042382 0.81 HDAC1 (0.35) MEN1KMT2AALOX15SMN1; SMN2HDAC1
SCHEMBL4039814 0.81 HDAC1 (0.36) MEN1KMT2ASMN1; SMN2TP53HDAC1
SCHEMBL4043068 0.81 HDAC1 (0.36) TSHRHDAC1DPP4PREPCTSL

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 6 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

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 MEN1 3247/4885KMT2A 3867/4885ALOX15 1817/4885

“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.