SCHEMBL534782

SCHEMBL534782

O=C(NCCc1ccccc1C#CCl)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.51
IDO1 P14902 2/20 0.50
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
TGM2 P21980 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.44
KAT2B Q92831 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
NMBR P28336 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FOLH1 Q04609 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNA3 P22001 1/20 0.42
KCNA5 P22460 1/20 0.42
GAA P10253 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
SCHEMBL4667311 0.85 LMNA (0.56) LMNASMN1; SMN2HTTIDO1KEAP1
SCHEMBL555531 0.84 SMN1; SMN2 (0.50) LMNASMN1; SMN2HTTIDO1KEAP1
SCHEMBL6746741 0.79 LMNA (0.61) LMNASMN1; SMN2HTTIDO1KEAP1
SCHEMBL4667297 0.79 LMNA (0.61) LMNASMN1; SMN2HTTIDO1KEAP1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.78 LMNA (0.73) LMNASMN1; SMN2HTTIDO1KEAP1
SCHEMBL535090 0.78 LMNA (0.60) LMNASMN1; SMN2HTTIDO1KEAP1
SCHEMBL29682187 0.78 LMNA (0.60) LMNASMN1; SMN2HTTIDO1KEAP1
SCHEMBL21848124 0.78 LMNA (0.60) LMNASMN1; SMN2HTTIDO1KEAP1
SCHEMBL13055383 0.76 LMNA (0.80) LMNASMN1; SMN2HTTIDO1KEAP1
SCHEMBL29681876 0.74 TGM2 (0.57) LMNASMN1; SMN2HTTIDO1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 LMNA 1880/4885SMN1; SMN2 4604/4885HTT 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.