SCHEMBL19007845

SCHEMBL19007845

C=C(NC)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL8891764 0.83 ALDH1A1 (0.59) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
Benzyl N-Methylcarbamate SCHEMBL645204 0.83 ALDH1A1 (0.62) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL234454 0.82 LMNA (0.62) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
Benzyl N-Methylcarbamate SCHEMBL6510776 0.81 ALDH1A1 (0.60) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL4808691 0.81 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL8705971 0.81 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL18620840 0.81 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL7306620 0.80 LMNA (0.57) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
Benzyl N-Methylcarbamate SCHEMBL6461910 0.80 ALDH1A1 (0.63) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL7355501 0.80 ALDH1A1 (0.63) SMN1; SMN2LMNAALDH1A1NPC1RAB9A

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-20170174622-A1 METHOD FOR PRODUCING TRI-CARBOBENZOXY-ARGININE KANEKA CORPORATION (JP) 2017-06-22 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-20170174622-A1 METHOD FOR PRODUCING TRI-CARBOBENZOXY-ARGININE ARG1, ARGLU1, PRMT1 SMN1; SMN2 4788/4885LMNA 4838/4885ALDH1A1 3308/4885

“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.