SCHEMBL6329754

SCHEMBL6329754

CC(C)(C)N(O)c1ccc(C(=O)Nc2ncncn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALPL P05186 1/20 0.40
RECQL P46063 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
P4HTM Q9NXG6 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
DEGS1 O15121 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6328469 0.88 GLA (0.45) NPC1RAB9ASMN1; SMN2TRPV1ALDH1A1
SCHEMBL6337970 0.78 ALPL (0.69) NPC1RAB9ASMN1; SMN2ALPLALDH1A1
SCHEMBL6327513 0.78 RAB9A (0.69) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6336781 0.77 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6332321 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL6328257 0.75 HPGDS (0.46) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6330501 0.75 NAMPT (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6328266 0.75 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTRECQL
SCHEMBL6329226 0.74 HPGDS (0.47) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL4542768 0.74 BCAT2 (0.58) NPC1RAB9AKDM4EL3MBTL1KMT2A

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 NPC1 322/4885RAB9A 539/4885SMN1; SMN2 244/4885

“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.