SCHEMBL21542487

SCHEMBL21542487

COC(=O)C1=C[N]C(=S)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ADORA2B P29275 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 3/20 0.32
HSD17B10 Q99714 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 2/20 0.32
PIM1 P11309 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
PADI4 Q9UM07 1/20 0.31
GLA P06280 1/20 0.31
PRF1 P14222 1/20 0.31

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
SCHEMBL546130 0.72 MAPT (0.41) KMT2AALDH1A1MAPTHSD17B10TSHR
SCHEMBL502220 0.68 MAPT (0.38) KMT2ACTDSP1ALDH1A1TDP1MAPT
SCHEMBL2244436 0.61 KMT2A (0.50) KMT2ACTDSP1ALDH1A1MAPTHSD17B10
SCHEMBL8086896 0.60 TSHR (0.42) ALDH1A1MAPTHSD17B10TSHRKDM4E
SCHEMBL10639650 0.60 TSHR (0.41) KMT2AALDH1A1TDP1MAPTHSD17B10
SCHEMBL22362537 0.60 TSHR (0.41) ALDH1A1TDP1MAPTHSD17B10NPSR1
SCHEMBL7308837 0.57 NPSR1 (0.34) ALDH1A1TDP1NPSR1TSHRMAPK1
SCHEMBL24283621 0.56 MAPT (0.33) KMT2AMAPTHSD17B10NPSR1TSHR
SCHEMBL2242770 0.56 KMT2A (0.68) KMT2ACTDSP1ALDH1A1HSD17B10NPSR1
SCHEMBL7767135 0.56 CRHBP (0.42) ALDH1A1TDP1MAPTHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20190345498-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2019-11-14 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 (2 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-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KMT2A 1975/4885CTDSP1 576/4885ALDH1A1 1745/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KMT2A 1975/4885CTDSP1 576/4885ALDH1A1 1745/4885

“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.