SCHEMBL19007841

SCHEMBL19007841

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL6255909 0.85 SMN1; SMN2 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL13188795 0.83 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL3583239 0.82 ALDH1A1 (0.47) RAB9AALDH1A1MAPTHTT
SCHEMBL25298888 0.82 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL13189129 0.81 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7694380 0.81 ALDH1A1 (0.62) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL9228433 0.81 HTT (0.45) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL19007844 0.80 ALDH1A1 (0.58) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL5969412 0.80 ALDH1A1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7358561 0.80 SMN1; SMN2 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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 NPC1 1693/4885RAB9A 1295/4885ALDH1A1 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.