SCHEMBL2295231

SCHEMBL2295231

Cc1cccc(C)c1Nc1c(-c2ccc(OC(=O)C(C)N)cc2OCC(N)=O)nc2ccc(F)cn12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.38
MAPT P10636 11/20 0.38
TP53 P04637 6/20 0.38
POLB P06746 1/20 0.38
TRPA1 O75762 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GPR139 Q6DWJ6 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2295451 0.90 TRPA1 (0.37) GAAMAPTTP53POLBTRPA1
SCHEMBL2290123 0.89 GAA (0.43) GAAMAPTTP53POLBTRPA1
SCHEMBL2289783 0.89 GAA (0.44) GAAMAPTTP53POLBSMN1; SMN2
SCHEMBL2289236 0.88 TRPA1 (0.45) GAAMAPTTP53POLBTRPA1
SCHEMBL2295229 0.88 TRPA1 (0.41) GAAMAPTTP53POLBTRPA1
SCHEMBL2290086 0.87 GAA (0.43) GAAMAPTTP53POLBTRPA1
SCHEMBL2292255 0.87 GAA (0.49) GAAMAPTTP53POLBTRPA1
SCHEMBL2290729 0.87 TRPA1 (0.37) GAAMAPTTP53POLBTRPA1
SCHEMBL2293500 0.85 GAA (0.47) GAAMAPTTP53POLBTRPA1
SCHEMBL2289462 0.85 GAA (0.47) GAAMAPTTP53POLBTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 1202/4885MAPT 1138/4885TP53 4410/4885

“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.