SCHEMBL463005

SCHEMBL463005

COC(=O)C1CCC(C(=O)NNCl)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL441675 0.80 GAA (0.44) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL2588378 0.80 TP53 (0.42) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL2588381 0.80 TP53 (0.42) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL2200767 0.80 TP53 (0.56) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL244740 0.80
SCHEMBL2948892 0.80 TP53 (0.56) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL74396 0.80 TP53 (0.56) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL10681039 0.78 TP53 (0.50) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL442814 0.78 GAA (0.40) TP53GAASMN1; SMN2KMT2A
SCHEMBL442815 0.78 GAA (0.40) TP53GAASMN1; SMN2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT TP53 2780/4885GAA 106/4885SMN1; SMN2 2301/4885

“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.