SCHEMBL6684711

SCHEMBL6684711

Brc1ccc(CNCCc2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
MPO P05164 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
SIGMAR1 Q99720 7/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
BCHE P06276 1/20 0.43
EPHX2 P34913 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL6680826 0.90 SIGMAR1 (0.55) MPOSIGMAR1BCHE
SCHEMBL6680346 0.87 GAA (0.55) GAAMAPTMPOTP53THRB
SCHEMBL6682815 0.84 TP53 (0.64) GAAMAPTTP53THRBMEN1
SCHEMBL1785986 0.82 KDM4E (0.51) MPO
SCHEMBL12607392 0.78 LMNA (0.46) MAPTMEN1KMT2ALMNA
SCHEMBL10863420 0.75 MAOB (0.40) GAAMEN1KMT2ATDP1EPHX2
SCHEMBL27228 0.73 GAA (0.95) GAAMAPTMPOSIGMAR1MEN1
SCHEMBL25432637 0.72 GAA (0.91) GAAMAPTMPOSIGMAR1MEN1
Hydrochloric Acid SCHEMBL1983401 0.72 GAA (1.00) GAAMAPTMPOSIGMAR1MEN1
Ammonia Solution, Strong SCHEMBL23581968 0.72 GAA (0.91) GAAMAPTMPOSIGMAR1MEN1

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 GAA 261/4885MAPT 4610/4885MPO 64/4885
US-20030171308-A1 Macrolide antibacterial compounds RPN1, MRPL21, CASP1 GAA 273/4885MAPT 4628/4885MPO 63/4885

“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.