SCHEMBL555531

SCHEMBL555531

C[Si](C)(C)C#Cc1ccccc1CCNC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.48
IDO1 P14902 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
MAPT P10636 1/20 0.45
TGM2 P21980 1/20 0.44
KCNA5 P22460 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNA3 P22001 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL534782 0.84 LMNA (0.53) SMN1; SMN2LMNAHTTIDO1L3MBTL1
SCHEMBL4667311 0.82 LMNA (0.56) SMN1; SMN2LMNAHTTIDO1L3MBTL1
SCHEMBL534744 0.80 MTNR1A (0.51) LMNAHTT
SCHEMBL6746741 0.76 LMNA (0.61) SMN1; SMN2LMNAHTTIDO1L3MBTL1
SCHEMBL4667297 0.76 LMNA (0.61) SMN1; SMN2LMNAHTTIDO1L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.75 LMNA (0.73) SMN1; SMN2LMNAHTTIDO1L3MBTL1
SCHEMBL535090 0.75 LMNA (0.60) SMN1; SMN2LMNAHTTIDO1L3MBTL1
SCHEMBL29682187 0.75 LMNA (0.60) SMN1; SMN2LMNAHTTIDO1L3MBTL1
SCHEMBL21848124 0.75 LMNA (0.60) SMN1; SMN2LMNAHTTIDO1L3MBTL1
SCHEMBL15769888 0.75 HTT (0.44) SMN1; SMN2LMNAHTTL3MBTL1KEAP1

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 SMN1; SMN2 4604/4885LMNA 1880/4885HTT 4056/4885

“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.