SCHEMBL4046219

SCHEMBL4046219

NC(=O)CC[CH]C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
DPP4 P27487 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL6208713 0.86 PARP1 (0.36) PARP1F10F2PRSS1DPP4
SCHEMBL4042507 0.86 CTSL (0.36)
SCHEMBL4044726 0.85 PARP1 (0.34) PARP1F10F2PRSS1DPP4
SCHEMBL4042160 0.85 PARP1 (0.34) PARP1F10F2PRSS1DPP4
SCHEMBL6211044 0.85 CTSK (0.33) PARP1DPP4L3MBTL1ALDH1A1TSHR
SCHEMBL4040192 0.84 MT-CO2 (0.31) L3MBTL1MEN1KMT2A
SCHEMBL4043418 0.83 FKBP1A (0.38) PARP1ALDH1A1TSHR
SCHEMBL4038909 0.83 STS (0.35) PARP1F10F2PRSS1ALDH1A1
SCHEMBL4038703 0.82 PARP1 (0.36) PARP1F10F2PRSS1LMNA
SCHEMBL6209170 0.80 PARP1 (0.35) PARP1F10F2PRSS1DPP4

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-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 PARP1 4400/4885F10 1200/4885F2 2041/4885

“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.