SCHEMBL2290729

SCHEMBL2290729

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
MAPT P10636 8/20 0.37
GAA P10253 7/20 0.37
TP53 P04637 6/20 0.37
POLB P06746 1/20 0.37
NOTUM Q6P988 3/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX5 P09917 2/20 0.33
EPHX2 P34913 2/20 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
SCHEMBL2292639 0.90 TRPA1 (0.37) TRPA1MAPTGAATP53NOTUM
SCHEMBL2290950 0.89 MAPT (0.44) MAPTGAATP53ALDH1A1NPSR1
SCHEMBL2289236 0.88 TRPA1 (0.45) TRPA1MAPTGAATP53POLB
SCHEMBL2290726 0.88 TRPA1 (0.39) TRPA1MAPTGAATP53POLB
SCHEMBL2292255 0.87 GAA (0.49) TRPA1MAPTGAATP53POLB
SCHEMBL2290086 0.87 GAA (0.43) TRPA1MAPTGAATP53POLB
SCHEMBL2295231 0.87 GAA (0.38) TRPA1MAPTGAATP53POLB
SCHEMBL2293500 0.85 GAA (0.47) TRPA1MAPTGAATP53POLB
SCHEMBL2289462 0.85 GAA (0.47) TRPA1MAPTGAATP53POLB
SCHEMBL2287174 0.85 GAA (0.44) TRPA1MAPTGAATP53POLB

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 TRPA1 1229/4885MAPT 1138/4885GAA 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.