SCHEMBL19007840

SCHEMBL19007840

CN(C(=O)OCc1ccccc1)/C(N)=N/C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ABCB1 P08183 1/20 0.41
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
LMNA P02545 1/20 0.39
PLAU P00749 1/20 0.39
TP53 P04637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6255904 0.85 ALDH1A1 (0.45) ALDH1A1MAPTHPGDHCAR2MAPK1
SCHEMBL6255913 0.85 ALDH1A1 (0.45) ALDH1A1MAPTHPGDHCAR2MAPK1
SCHEMBL5127967 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHCAR2MAPK1
SCHEMBL5127966 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHCAR2MAPK1
SCHEMBL3583245 0.82 ALDH1A1 (0.47) ALDH1A1MAPTKMT2A
SCHEMBL22283338 0.82 ALDH1A1 (0.55) ALDH1A1MAPTHPGDHCAR2MAPK1
SCHEMBL7694380 0.81 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHCAR2MAPK1
SCHEMBL1003773 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2MAPK1
SCHEMBL1003772 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2MAPK1
SCHEMBL9228435 0.81 ALDH1A1 (0.41) ALDH1A1MAPTHPGDHCAR2MAPK1

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 ALDH1A1 3308/4885MAPT 3623/4885HPGD 1201/4885

“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.