SCHEMBL4043258

SCHEMBL4043258

CC(C)CC(CC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CTSK P43235 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 1/20 0.33

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
SCHEMBL4044245 0.92 REN (0.35) KDM4EHSD17B10ALDH1A1CTSKGAA
SCHEMBL4044024 0.91 REN (0.38) CTSKKMT2A
SCHEMBL4039387 0.90 ALDH1A1 (0.41) KDM4ECYP2C9CYP2C19LMNAALDH1A1
SCHEMBL4044115 0.90 CTSK (0.34) KDM4EALDH1A1CTSKKMT2ANPSR1
SCHEMBL4043889 0.89 KDM4E (0.41) KDM4ECYP2C9CYP2C19HSD17B10LMNA
SCHEMBL4039254 0.87 KDM4E (0.38) KDM4ECYP2C9CYP2C19LMNAALDH1A1
SCHEMBL4043087 0.87 KDM4E (0.39) KDM4ECYP2C9CYP2C19HSD17B10LMNA
SCHEMBL4040398 0.87 CTSK (0.33) CTSKKMT2A
SCHEMBL4045641 0.85 CTSK (0.32) CTSKKMT2A
SCHEMBL4041227 0.83 CHRM1 (0.42) KDM4ECYP2C9CYP2C19HSD17B10LMNA

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 KDM4E 3911/4885CYP2C9 80/4885CYP2C19 430/4885

“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.