SCHEMBL4045785

SCHEMBL4045785

CC(C)CC(CC(=O)N1CC2C=CC=CC2C1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
PAX8 Q06710 3/20 0.35
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP4 Q9UKK3 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
P2RX7 Q99572 1/20 0.32
IDH1 O75874 1/20 0.32
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL4040980 0.96 PAX8 (0.34) CTSKPAX8FNTAFNTBTNKS
SCHEMBL4041131 0.88 PAX8 (0.38) CTSKPAX8FNTAFNTBTNKS
SCHEMBL4039978 0.88 CHRM1 (0.41) CTSKPAX8FNTAFNTBTNKS
SCHEMBL4040529 0.88 ALDH1A1 (0.41) CTSKPAX8FNTAFNTBTNKS
SCHEMBL4039288 0.87 FKBP1A (0.35)
SCHEMBL4040737 0.85 ALDH1A1 (0.48) CTSKFNTAFNTBKDM4EALDH1A1
SCHEMBL4043201 0.85 KDM4E (0.40) CTSKFNTAFNTBKDM4EALDH1A1
SCHEMBL4043005 0.84 HSD17B10 (0.36) CTSKKDM4EALDH1A1
SCHEMBL4039911 0.83 FKBP1A (0.34)
SCHEMBL4042443 0.82 CTSK (0.34) CTSK

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 CTSK 2/4885PAX8 442/4885FNTA 3707/4885

“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.