SCHEMBL4040529

SCHEMBL4040529

CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
CTSK P43235 2/20 0.36
PAX8 Q06710 1/20 0.36
REN P00797 7/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 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
IDH1 O75874 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4042039 0.91 ALDH1A1 (0.40) ALDH1A1MAPTHPGDFNTAFNTB
SCHEMBL4039978 0.91 CHRM1 (0.41) ALDH1A1FNTAFNTBCTSKPAX8
SCHEMBL4041131 0.91 PAX8 (0.38) ALDH1A1FNTAFNTBCTSKPAX8
SCHEMBL4043201 0.90 KDM4E (0.40) ALDH1A1MAPTFNTAFNTBCTSK
SCHEMBL4043197 0.88 CTSS (0.43) ALDH1A1MAPTHPGDCTSKREN
SCHEMBL4040737 0.88 ALDH1A1 (0.48) ALDH1A1FNTAFNTBCTSKLMNA
SCHEMBL4045785 0.88 CTSK (0.36) ALDH1A1FNTAFNTBCTSKPAX8
SCHEMBL4042902 0.86 REN (0.37) ALDH1A1MAPTHPGDRENLMNA
SCHEMBL4040980 0.86 PAX8 (0.34) FNTAFNTBCTSKPAX8TNKS
SCHEMBL4044663 0.83 HSD17B10 (0.37) ALDH1A1HPGDRENLMNAHTT

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
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 ALDH1A1 4151/4885MAPT 3367/4885HPGD 1402/4885

“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.