SCHEMBL6680826

SCHEMBL6680826

Brc1ccc(CNCCCc2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.55
MPO P05164 1/20 0.49
BCHE P06276 1/20 0.46
MAOA P21397 1/20 0.44

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
SCHEMBL6684711 0.90 GAA (0.55) SIGMAR1MPOBCHE
SCHEMBL6682815 0.82 TP53 (0.64) BCHEMAOA
SCHEMBL6680346 0.81 GAA (0.55) SIGMAR1MPOBCHEMAOA
SCHEMBL10863420 0.76 MAOB (0.40)
SCHEMBL4065566 0.75 SIGMAR1 (0.88) SIGMAR1MPOBCHEMAOA
Bromide SCHEMBL11691228 0.74 SIGMAR1 (0.84) SIGMAR1MPOBCHEMAOA
SCHEMBL11883482 0.74 SIGMAR1 (0.84) SIGMAR1MPOBCHEMAOA
SCHEMBL1785986 0.74 KDM4E (0.51) MPO
SCHEMBL4254894 0.73 SIGMAR1 (1.00) SIGMAR1
SCHEMBL12607392 0.72 LMNA (0.46)

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 SIGMAR1 407/4885MPO 64/4885BCHE 1331/4885
US-20030171308-A1 Macrolide antibacterial compounds RPN1, MRPL21, CASP1 SIGMAR1 381/4885MPO 63/4885BCHE 1327/4885

“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.