SCHEMBL4043767

SCHEMBL4043767

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 3/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
P2RX7 Q99572 2/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL4042418 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBLMNAP2RX7
SCHEMBL4041227 0.90 CHRM1 (0.42) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL4039938 0.90 HSD17B10 (0.38) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL4045109 0.89 LMNA (0.40) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL4043993 0.88 ALDH1A1 (0.39) ALDH1A1POLBLMNASMN1; SMN2TSHR
SCHEMBL4040056 0.87 HSD17B10 (0.37) ALDH1A1KDM4EPOLBTSHRKMT2A
SCHEMBL4044663 0.87 HSD17B10 (0.37) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL4042739 0.87 CTSL (0.41) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL4040737 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL4043005 0.84 HSD17B10 (0.36) ALDH1A1KDM4EPOLBTSHRGAA

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 7 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
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 3911/4885POLB 3780/4885

“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.