SCHEMBL4042763

SCHEMBL4042763

NC(=O)c1ccsc1C[CH]C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 3/20 0.32
SYK P43405 1/20 0.32
CTSK P43235 3/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
EPHX2 P34913 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
RBP4 P02753 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
SCHEMBL4042202 0.86 PARP1 (0.30) PARP1
SCHEMBL4044079 0.84 CTSL (0.33) PARP1CTSKCTSLCTSS
SCHEMBL4038703 0.82 PARP1 (0.36) PARP1
SCHEMBL4044468 0.81 L3MBTL1 (0.38) L3MBTL1CTSKEPHX2CTSLCTSS
SCHEMBL4044386 0.80 MAPK8 (0.42) PARP1ADRA1D
SCHEMBL4041682 0.79 CTSK (0.33) L3MBTL1CTSKEPHX2CTSLCTSS
SCHEMBL4043000 0.78 CTSK (0.38) L3MBTL1CTSKEPHX2CTSLCTSS
SCHEMBL4040766 0.78 CTSK (0.40) L3MBTL1CTSKEPHX2CTSLCTSS
SCHEMBL4041297 0.76 KDM4E (0.36) PARP1
SCHEMBL4044301 0.75 MAPK8 (0.36) PARP1

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 L3MBTL1 3007/4885PARP1 4400/4885SYK 1958/4885

“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.