SCHEMBL4045590

SCHEMBL4045590

CC(C)(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NAMPT P43490 2/20 0.34
FKBP1A P62942 1/20 0.34
HTT P42858 1/20 0.33
REN P00797 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL4042902 0.92 REN (0.37) SMYD3LMNAALDH1A1MAPTHPGD
SCHEMBL4046534 0.89 ALDH1A1 (0.35) SMYD3LMNAALDH1A1HPGDNAMPT
SCHEMBL4045536 0.88 CTSS (0.41) RENCTSS
SCHEMBL4038004 0.87 ALDH1A1 (0.37) LMNAALDH1A1HTTCTSSCTSK
SCHEMBL4042039 0.86 ALDH1A1 (0.40) LMNAALDH1A1MAPTHPGDHTT
SCHEMBL4042416 0.86 CTSK (0.35) ALDH1A1MAPTRENCTSSCTSK
SCHEMBL4044950 0.84 DPP4 (0.39) SMYD3ALDH1A1FKBP1A
SCHEMBL4038831 0.84 CHRM1 (0.39) SMYD3FKBP1AREN
SCHEMBL4043749 0.83 SMYD3 (0.35) SMYD3ALDH1A1FKBP1A
SCHEMBL4039254 0.83 KDM4E (0.38) LMNAALDH1A1FKBP1A

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 SMYD3 4011/4885LMNA 3686/4885ALDH1A1 4151/4885

“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.