SCHEMBL6800534

SCHEMBL6800534

NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA2 P00918 1/20 0.58
BACE1 P56817 2/20 0.55
HPGDS O60760 3/20 0.53
PTPN1 P18031 1/20 0.52
CTSL P07711 3/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
PSMB5 P28074 2/20 0.49
CTSB P07858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6800540 1.00 NPC1 (0.59) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL27659000 0.91 CA2 (0.67) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL4366751 0.91 CA2 (0.67) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL4368609 0.87 RAB9A (0.60) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL4366623 0.85 LMNA (0.63) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL4362723 0.85 ALDH1A1 (0.59) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL4365720 0.85 LMNA (0.63) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL6807425 0.85 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL6807421 0.85 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2CA2
SCHEMBL4364568 0.84 CA2 (0.65) NPC1RAB9ATP53SMN1; SMN2CA2

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-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE NPC1 4576/4885RAB9A 3191/4885TP53 1609/4885

“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.