SCHEMBL13623453

SCHEMBL13623453

O=C(Nc1cncc(C2OCCO2)c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
CSF1R P07333 1/20 0.43
GRM5 P41594 3/20 0.40
MAOB P27338 1/20 0.40
CCR2 P41597 1/20 0.40
MAPT P10636 2/20 0.39
GSK3B P49841 2/20 0.39
HSD11B1 P28845 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL4069886 0.71 CSF1R (0.47) CSF1RGRM5MAOBHSD11B1KDR
SCHEMBL13912207 0.71 CSF1R (0.47) CSF1RGRM5HSD11B1
SCHEMBL6058835 0.65 TSHR (0.40) GSK3B
SCHEMBL12133934 0.63 CYP11B1 (0.60) GSK3B
SCHEMBL6919417 0.63 GRM5 (0.65) GRM5
SCHEMBL13817571 0.63 KCNK3 (0.65) MAPT
SCHEMBL31687482 0.62 MEN1 (0.64) MAOB
SCHEMBL28570990 0.62 NQO2 (0.56) GRM5MAOBMAPTGSK3B
SCHEMBL29768537 0.62 NQO2 (0.56) GRM5MAOBMAPTGSK3B
SCHEMBL23352226 0.62 CYP11B1 (0.51) GRM5GSK3B

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-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-2030982-A1 GLYCOPEPTIDE ANTIBIOTIC DERIVATIVE SHIONOGI & CO., LTD. (JP) 2009-03-04 EP 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-20090286717-A1 Glycopeptide Antibiotic Derivative NR2C2, NR0B2, NR3C2 SLC6A3 2404/4885KCNH2 2094/4885TAAR1 2409/4885

“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.