SCHEMBL22112002

SCHEMBL22112002

CCNC(COCCC(=O)CNCCCN)(COCCC(=O)NCCCN)COCCC(=O)NCCCN

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.37
TSHR P16473 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PAOX Q6QHF9 1/20 0.33
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
CASP2 P42575 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KDM4A O75164 1/20 0.30
HIF1A Q16665 1/20 0.30
TET2 Q6N021 1/20 0.30
DOHH Q9BU89 1/20 0.30
GRIA1 P42261 1/20 0.30

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
SCHEMBL18736144 0.79 TSHR (0.40) SLC6A5TSHRHDAC6PAOXCASP2
SCHEMBL23774416 0.79 CASP2 (0.36) TSHRCASP2SMN1; SMN2
SCHEMBL18666285 0.78 TSHR (0.48) SLC6A5TSHRPAOXCASP2SMN1; SMN2
SCHEMBL14978144 0.76 TSHR (0.42) SLC6A5TSHRHDAC6PAOXCASP2
SCHEMBL18653329 0.75 SLC6A5 (0.39) SLC6A5TSHRCASP2SMN1; SMN2KDM4A
SCHEMBL24383343 0.75 SLC6A5 (0.39) SLC6A5TSHRHDAC6PAOXKDM4A
SCHEMBL23723856 0.75 TSHR (0.36) SLC6A5TSHRHDAC6PAOXSMN1; SMN2
SCHEMBL23969137 0.74 HDAC6 (0.36) SLC6A5TSHRHDAC6PAOXMAOA
SCHEMBL13785356 0.74 TSHR (0.40) SLC6A5TSHRHDAC6PAOXCASP2
SCHEMBL15160283 0.74 SLC6A5 (0.38) SLC6A5TSHRPAOXCASP2SMN1; SMN2

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-20200190515-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2020-06-18 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-20200190515-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF RNASE1, RNASEH1, RNASEL SLC6A5 4195/4885TSHR 3308/4885HDAC6 1188/4885

“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.