SCHEMBL2295451

SCHEMBL2295451

Cc1cccc(C)c1Nc1c(-c2c(C)cc(OC(=O)C(C)N)cc2OCC(N)=O)nc2ccc(F)cn12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
GAA P10253 12/20 0.35
MAPT P10636 10/20 0.35
TP53 P04637 5/20 0.35
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
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
THRB P10828 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PLAU P00749 1/20 0.30

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
SCHEMBL2290253 0.91 TRPA1 (0.41) TRPA1GAAMAPTTP53POLB
SCHEMBL2295231 0.90 GAA (0.38) TRPA1GAAMAPTTP53POLB
SCHEMBL2289183 0.89 TRPA1 (0.42) TRPA1GAAMAPTTP53POLB
SCHEMBL2289621 0.89 GAA (0.44) GAAMAPTTP53SMN1; SMN2MAPK1
SCHEMBL2292008 0.88 TRPA1 (0.41) TRPA1GAAMAPTTP53POLB
SCHEMBL2290260 0.87 TRPA1 (0.37) TRPA1GAAMAPTTP53POLB
SCHEMBL2291220 0.87 TRPA1 (0.42) TRPA1GAAMAPTTP53SMN1; SMN2
SCHEMBL2287514 0.87 TRPA1 (0.41) TRPA1GAAMAPTTP53POLB
SCHEMBL2290031 0.87 TRPA1 (0.42) TRPA1GAAMAPTTP53POLB
SCHEMBL2292639 0.87 TRPA1 (0.37) TRPA1GAAMAPTTP53SMN1; SMN2

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 claimed
US-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2011-08-11 US claimed

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 TRPA1 1229/4885GAA 1202/4885MAPT 1138/4885

“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.