SCHEMBL4043201

SCHEMBL4043201

CC(C)CC(CC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSK P43235 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
GFER P55789 1/20 0.37
ATM Q13315 1/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
LMNA P02545 1/20 0.37
CXCR3 P49682 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
DGAT1 O75907 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4040737 0.91 ALDH1A1 (0.48) KDM4ECTSKALDH1A1FNTAFNTB
SCHEMBL4039978 0.91 CHRM1 (0.41) KDM4ECTSKALDH1A1FNTAFNTB
SCHEMBL4040529 0.90 ALDH1A1 (0.41) KDM4ECTSKALDH1A1FNTAFNTB
SCHEMBL4041131 0.89 PAX8 (0.38) KDM4ECTSKALDH1A1FNTAFNTB
SCHEMBL4039254 0.87 KDM4E (0.38) KDM4ECYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL4045785 0.85 CTSK (0.36) KDM4ECTSKALDH1A1FNTAFNTB
SCHEMBL4041227 0.84 CHRM1 (0.42) KDM4ECYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL4040980 0.84 PAX8 (0.34) CTSKFNTAFNTB
SCHEMBL4045270 0.82 CYP2C9 (0.38) KDM4ECYP2C9CYP2C19CTSKALDH1A1
SCHEMBL4040993 0.82 CTSK (0.43) KDM4ECYP2C9CYP2C19CTSKALDH1A1

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.