SCHEMBL3663437

SCHEMBL3663437

CN1CCOc2cc(B(O)O)cnc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.52
CYP11B2 P19099 4/20 0.42
MGLL Q99685 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CYP11B1 P15538 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL15520747 0.80 GRM5 (0.56) GRM5CYP11B2MGLLIRAK4CYP11B1
SCHEMBL46326 0.78 GRM5 (0.57) GRM5CYP11B2MGLLIRAK4CYP11B1
SCHEMBL1053384 0.76 GRM5 (0.56) GRM5CYP11B2MGLLIRAK4CYP11B1
SCHEMBL2398608 0.76 GRM5 (0.56) GRM5CYP11B2MGLLIRAK4CYP11B1
SCHEMBL18307164 0.76 GRM5 (0.56) GRM5CYP11B2MGLLIRAK4CYP11B1
SCHEMBL23111145 0.76 GRM5 (0.62) GRM5CYP11B2MGLLIRAK4CYP11B1
Hydrochloric Acid SCHEMBL23168041 0.75 GRM5 (0.55) GRM5CYP11B2MGLLIRAK4CYP11B1
SCHEMBL14242972 0.75 GRM5 (0.57) GRM5CYP11B2MGLLKDM4EATM
SCHEMBL838774 0.75 GRM5 (0.60) GRM5CYP11B2MGLL
SCHEMBL21863669 0.74 GRM5 (0.53) GRM5CYP11B2MGLLIRAK4CYP11B1

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
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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 (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-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK GRM5 3528/4885CYP11B2 2553/4885MGLL 3871/4885

“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.