SCHEMBL6328469

SCHEMBL6328469

CC(C)(C)N(O)c1ccc(C(=O)Nc2ncccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
EIF4H Q15056 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL6329754 0.88 NPC1 (0.40) RAB9ANPC1KDM4ELMNAGAA
SCHEMBL6332321 0.85 NPC1 (0.68) RAB9ANPC1LMNANPSR1POLB
SCHEMBL6328266 0.78 NPC1 (0.64) GLARAB9ANPC1KDM4ELMNA
SCHEMBL6329857 0.78 SIRT2 (0.44) RAB9ANPC1LMNANPSR1GAA
SCHEMBL6328257 0.78 HPGDS (0.46) RAB9ANPC1KDM4ETRPV1MEN1
SCHEMBL6327513 0.78 RAB9A (0.69) RAB9ANPC1KDM4ELMNANPSR1
SCHEMBL6330501 0.78 NAMPT (0.50) RAB9ANPC1KDM4ELMNAGAA
SCHEMBL6329226 0.77 HPGDS (0.47) RAB9ANPC1GAATRPV1MEN1
SCHEMBL6332102 0.77 PDE4D (0.58) RAB9ANPC1KDM4EGAAMEN1
SCHEMBL7258009 0.76 MAPK1 (0.46) RAB9ANPC1KDM4ELMNAGAA

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 GLA 1557/4885RAB9A 539/4885NPC1 322/4885

“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.