SCHEMBL6329789

SCHEMBL6329789

CC(C)(C)N(O)c1cccc(C(=O)Nc2nccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
RAB9A P51151 9/20 0.58
NPC1 O15118 8/20 0.58
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.54
RECQL P46063 1/20 0.54
GLA P06280 1/20 0.54
SCD O00767 1/20 0.53
ADORA2A P29274 2/20 0.53
ADORA1 P30542 1/20 0.53
PPARG P37231 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL6328266 0.85 NPC1 (0.64) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13438742 0.80 NPC1 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8555330 0.78 TP53 (0.70) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6918568 0.78 MEN1 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6918262 0.78 GRM5 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6327544 0.78 NPC1 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1TDP1
SCHEMBL27739695 0.77 NPC1 (0.70) SMN1; SMN2MEN1KMT2AKCNK3KCNK9
SCHEMBL22348631 0.76 NPC1 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1KCNK3
SCHEMBL7357499 0.76 NPC1 (0.68) SMN1; SMN2MEN1KMT2AKCNK3KCNK9
SCHEMBL27760115 0.76 NPC1 (0.68) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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 SMN1; SMN2 244/4885MEN1 4263/4885KMT2A 2089/4885

“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.