SCHEMBL1097369

SCHEMBL1097369

Cc1cccc(C)c1Nc1c(-c2ccccc2-c2ccc([N+](=O)[O-])s2)nc2ccc(F)cn12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.44
TP53 P04637 9/20 0.44
MAPT P10636 11/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.36
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL1097244 0.80 GAA (0.66) GAATP53MAPTSMN1; SMN2HTT
SCHEMBL1087147 0.75 MAPT (0.47) GAATP53MAPTSMN1; SMN2HTT
SCHEMBL1086565 0.75 GAA (0.51) GAATP53MAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1086711 0.74 MAPT (0.44) GAATP53MAPTSMN1; SMN2HTT
SCHEMBL1097903 0.74 GAA (0.47) GAATP53MAPTSMN1; SMN2HTT
SCHEMBL1097746 0.74 GAA (0.55) GAATP53MAPTSMN1; SMN2HTT
SCHEMBL1086546 0.73 MAPT (0.45) GAATP53MAPTSMN1; SMN2HTT
SCHEMBL1097543 0.73 GAA (0.46) GAATP53MAPTSMN1; SMN2HTT
SCHEMBL2291215 0.73 MAPT (0.45) GAATP53MAPTSMN1; SMN2HTT
SCHEMBL7016297 0.72 MAPT (0.53) GAATP53MAPTSMN1; SMN2HTT

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
US-8153649-B2 3-aminoimidazo 1,2-A pyridine derivatives having an SGLT1- and SGLT2-inhibiting action for the treatment of type 1 and type 2 diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-10 US disclosed
US-20100305142-A1 3-AMINOIMIDAZO 1,2-A PYRIDINE DERIVATIVES HAVING AN SGLT1- AND SGLT2-INHIBITING ACTION FOR THE TREATMENT OF TYPE 1 AND TYPE 2 DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-12-02 US disclosed
EP-2097411-B1 3 -AMINO-IMIDAZO [1,2 -A]PYRIDINE DERIVATIVES HAVING AN SGLT1 AND SGLT2 INHIBITING ACTION, FOR TREATING TYPE 1 AND TYPE 2 DIABETES MERCK PATENT GMBH (DE) 2010-11-17 EP disclosed
WO-2008046497-A1 3 -AMINO-IMIDAZO [1,2 -A] PYRIDINE DERIVATIVES HAVING AN SGLT1 AND SGLT2 INHIBITING ACTION, FOR TREATING TYPE 1 AND TYPE 2 DIABETES MERCK PATENT GMBH (DE) 2008-04-24 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-20100305142-A1 3-AMINOIMIDAZO 1,2-A PYRIDINE DERIVATIVES HAVING AN SGLT1- AND SGLT2-INHIBITING ACTION FOR THE TREATMENT OF TYPE 1 AND TYPE 2 DIABETES SLC5A1, SLC5A2, GLP1R GAA 2135/4885TP53 4468/4885MAPT 1231/4885

“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.