SCHEMBL2289889

SCHEMBL2289889

COc1cc(C)c(-c2nc3c(O)cccn3c2Nc2c(C)cccc2C)c(OCC(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.43
THRB P10828 3/20 0.43
GAA P10253 12/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 4/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FGFR4 P22455 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
SCHEMBL2290761 0.93 MAPT (0.41) MAPTTHRBGAASMN1; SMN2KDM4E
SCHEMBL2292353 0.92 MAPT (0.41) MAPTTHRBGAASMN1; SMN2KDM4E
SCHEMBL2288553 0.86 MAPT (0.48) MAPTTHRBGAASMN1; SMN2KDM4E
SCHEMBL2814190 0.86 GAA (0.50) MAPTTHRBGAAKDM4EALDH1A1
SCHEMBL2292032 0.85 MAPT (0.40) MAPTTHRBGAASMN1; SMN2KDM4E
SCHEMBL2287588 0.84 MAPT (0.37) MAPTTHRBGAASMN1; SMN2KDM4E
SCHEMBL2292837 0.81 MAPT (0.50) MAPTTHRBGAASMN1; SMN2KDM4E
SCHEMBL2289183 0.81 TRPA1 (0.42) MAPTTHRBGAASMN1; SMN2KDM4E
SCHEMBL2287217 0.80 MAPT (0.46) MAPTTHRBGAASMN1; SMN2KDM4E
SCHEMBL2287261 0.80 MAPT (0.45) MAPTTHRBGAASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032571-B1 3 -AMINO-IMIDAZO[1, 2-A]PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GMBH (DE) 2014-12-03 EP claimed
EP-2032571-B1 3 -AMINO-IMIDAZO[1, 2-A]PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GMBH (DE) 2014-12-03 EP disclosed
US-8258151-B2 3-aminoimidazo [1,2-A] pyridine derivatives as SGLT inhibitors MERCK PATENT GMBH (DE) 2012-09-04 US disclosed
US-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2011-08-11 US 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-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS GLP1R, SLC5A1, SLC5A2 MAPT 1138/4885THRB 3391/4885GAA 1202/4885

“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.