SCHEMBL6331978

SCHEMBL6331978

CC(=O)ON(c1ccc(C(=O)Nc2ccccn2)cc1)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.59
NPC1 O15118 10/20 0.59
F2 P00734 1/20 0.56
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
TP53 P04637 3/20 0.51
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRNA7 P36544 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL6330130 0.88 RAB9A (0.57) RAB9ANPC1F2GAAMEN1
SCHEMBL6332343 0.84 NPC1 (0.57) RAB9ANPC1F2GAAMEN1
SCHEMBL6332321 0.81 NPC1 (0.68) RAB9ANPC1F2GAAMEN1
SCHEMBL404972 0.78 RAB9A (0.76) RAB9ANPC1F2GAAMEN1
SCHEMBL6328478 0.78 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANPSR1
SCHEMBL6328268 0.77 NPC1 (0.53) RAB9ANPC1F2GAAMEN1
SCHEMBL12042421 0.76 NPC1 (0.78) RAB9ANPC1F2MEN1KMT2A
SCHEMBL16589423 0.76 RAB9A (0.83) RAB9ANPC1F2GAAMEN1
SCHEMBL6334847 0.75 SMN1; SMN2 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3689257 0.73 RAB9A (0.83) RAB9ANPC1F2GAAMEN1

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-6949654-B2 N-alkyl-N-phenylhydroxylamine compounds containing metal chelating groups, their preparation and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2005-09-27 US claimed
US-6949654-B2 N-alkyl-N-phenylhydroxylamine compounds containing metal chelating groups, their preparation and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2005-09-27 US disclosed
US-20030225087-A1 N-alkyl-N-phenylhydroxylamine compounds containing metal chelating groups, their preparation and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2003-12-04 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-20030225087-A1 N-alkyl-N-phenylhydroxylamine compounds containing metal chelating groups, their preparation and their therapeutic uses SOD1, LPO, BAD RAB9A 539/4885NPC1 322/4885F2 3940/4885

“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.