SCHEMBL4045109

SCHEMBL4045109

CC(C)CC(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
CHRM2 P08172 1/20 0.37
POLB P06746 1/20 0.36
CTSK P43235 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 2/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL4045270 0.90 CYP2C9 (0.38) LMNAALDH1A1KDM4ECTSKMEN1
SCHEMBL4040388 0.90 CTSK (0.35) ALDH1A1CTSKMAPK1
SCHEMBL4043767 0.89 ALDH1A1 (0.40) LMNAALDH1A1KDM4EPOLBMEN1
SCHEMBL4042418 0.89 ALDH1A1 (0.42) LMNAALDH1A1KDM4EPOLBP2RX7
SCHEMBL4038283 0.88 ALDH1A1 (0.38) LMNAALDH1A1POLBCTSKMEN1
SCHEMBL4041928 0.88 CTSK (0.35) ALDH1A1CTSKMAPK1
SCHEMBL4043600 0.87 ALDH1A1 (0.39) LMNAALDH1A1KDM4EPOLBMEN1
SCHEMBL4042443 0.85 CTSK (0.34) CTSKMAPK1
SCHEMBL4040737 0.84 ALDH1A1 (0.48) LMNAALDH1A1KDM4EPOLBCTSK
SCHEMBL4043184 0.84 CTSK (0.33) CTSK

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 LMNA 3686/4885ALDH1A1 4151/4885KDM4E 3911/4885

“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.