SCHEMBL4040737

SCHEMBL4040737

CC(C)CC(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
SIGMAR1 Q99720 1/20 0.43
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CTSK P43235 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4043201 0.91 KDM4E (0.40) ALDH1A1KDM4EFNTAFNTBLMNA
SCHEMBL4039978 0.91 CHRM1 (0.41) ALDH1A1KDM4EFNTAFNTBCTSK
SCHEMBL4041131 0.89 PAX8 (0.38) ALDH1A1KDM4EFNTAFNTBCTSK
SCHEMBL4040529 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EFNTAFNTBLMNA
SCHEMBL4042418 0.87 ALDH1A1 (0.42) ALDH1A1KDM4ESIGMAR1POLBLMNA
SCHEMBL4043767 0.86 ALDH1A1 (0.40) ALDH1A1KDM4ESIGMAR1POLBLMNA
SCHEMBL4045785 0.85 CTSK (0.36) ALDH1A1KDM4EFNTAFNTBCTSK
SCHEMBL4045109 0.84 LMNA (0.40) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL4040009 0.84 CTSK (0.42) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL4040980 0.84 PAX8 (0.34) FNTAFNTBCTSK

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 ALDH1A1 4151/4885KDM4E 3911/4885SIGMAR1 958/4885

“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.