SCHEMBL4043899

SCHEMBL4043899

NC(=O)Oc1ccc(C[CH]C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.36
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
TNKS O95271 1/20 0.35
PARP4 Q9UKK3 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRK1 P41145 3/20 0.34
MAPT P10636 1/20 0.34
CYP17A1 P05093 2/20 0.33
CYP19A1 P11511 2/20 0.33
CHRNA7 P36544 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KCNH2 Q12809 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
SCHEMBL4044854 0.85 FKBP1A (0.37)
SCHEMBL4046128 0.83 KDM4E (0.36) ALDH1A1
SCHEMBL4039942 0.83 PARP1 (0.38) PAX8PARP1PARP2TNKSPARP4
SCHEMBL4040851 0.82 PAX8 (0.37) PAX8PARP1PARP2TNKSPARP4
SCHEMBL4042070 0.81 KMT2A (0.33) OPRM1OPRK1MAPTALDH1A1
SCHEMBL4040339 0.81 TNKS (0.39) PAX8PARP1PARP2TNKSPARP4
SCHEMBL4044638 0.81 PAX8 (0.37) PAX8PARP1PARP2TNKSPARP4
SCHEMBL4044386 0.81 MAPK8 (0.42) PAX8PARP1PARP2TNKSPARP4
SCHEMBL4041682 0.80 CTSK (0.33) MAPTALDH1A1KCNH2
SCHEMBL6210597 0.77 PARP1 (0.40) PAX8PARP1PARP2TNKSPARP4

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 5 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
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 PAX8 442/4885PARP1 4400/4885PARP2 4534/4885

“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.