SCHEMBL6678035

SCHEMBL6678035

O=C(Nc1cccnc1)c1ccc(Br)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PTBP1 P26599 1/20 0.65
HTT P42858 1/20 0.65
KLF5 Q13887 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
CYP11B1 P15538 3/20 0.58
CYP11B2 P19099 3/20 0.58
HIF1A Q16665 1/20 0.56
GAA P10253 1/20 0.56
MITF O75030 1/20 0.56
NAMPT P43490 3/20 0.55
SORT1 Q99523 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PRKCI P41743 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL28132033 0.89 L3MBTL1 (0.72) LMNASMN1; SMN2PTBP1HTTKLF5
SCHEMBL14625554 0.82 L3MBTL1 (0.64) LMNASMN1; SMN2PTBP1HTTKLF5
SCHEMBL1588043 0.82 L3MBTL1 (0.64) LMNASMN1; SMN2PTBP1HTTKLF5
SCHEMBL23091265 0.81 HDAC3 (0.74) LMNASMN1; SMN2PTBP1HTTKLF5
SCHEMBL30501748 0.81 HDAC3 (0.74) LMNASMN1; SMN2PTBP1HTTKLF5
SCHEMBL1199911 0.81 NPC1 (0.63) SMN1; SMN2RAB9ANPC1GAAMITF
SCHEMBL1586868 0.80 L3MBTL1 (0.61) LMNASMN1; SMN2PTBP1HTTKLF5
SCHEMBL791385 0.79 L3MBTL1 (0.60) LMNASMN1; SMN2PTBP1HTTKLF5
SCHEMBL2202547 0.79 L3MBTL1 (0.60) LMNASMN1; SMN2PTBP1HTTKLF5
SCHEMBL12529828 0.79 NPC1 (0.62) LMNASMN1; SMN2PTBP1HTTKLF5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831068-B2 Containing a 10,13-dioxa-15,18-diazatricyclo(10.6.2.015,20)-icos-1(18)- en-5-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside group ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1474431-A2 MACROLIDE ANTIBACTERIAL COMPOUNDS Abbott Laboratories (US) 2004-11-10 EP disclosed
US-20040009931-A1 Macrolide antibacterial compounds ABBVIE INC. 2004-01-15 US disclosed
US-20030171308-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2003-09-11 US disclosed
WO-2003068790-A2 MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2003-08-21 WO 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 (2 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-20040009931-A1 Macrolide antibacterial compounds MRPL21, RPN1, CASP1 LMNA 1186/4885SMN1; SMN2 1392/4885PTBP1 1059/4885
US-20030171308-A1 Macrolide antibacterial compounds RPN1, MRPL21, CASP1 LMNA 1145/4885SMN1; SMN2 1325/4885PTBP1 1050/4885

“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.