SCHEMBL2295004

SCHEMBL2295004

COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2[N+](=O)[O-])c(OCC(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 7/20 0.34
GAA P10253 5/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TRIM33 Q9UPN9 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2289183 0.92 TRPA1 (0.42) TRPA1SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL2292748 0.91 TRPA1 (0.34) TRPA1SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2288415 0.90 TRPA1 (0.41) TRPA1SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL2293360 0.89 TRPA1 (0.36) TRPA1SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL2294986 0.88 TRPA1 (0.40) TRPA1SMN1; SMN2MAPTGAATP53
SCHEMBL2292370 0.88 TRPA1 (0.42) TRPA1MAPTGAAALDH1A1TP53
SCHEMBL2292058 0.88 TRPA1 (0.39) TRPA1SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL2292813 0.87 TRPA1 (0.42) TRPA1SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL2286858 0.87 TRPA1 (0.39) TRPA1SMN1; SMN2PKMMAPTGAA
SCHEMBL2290253 0.87 TRPA1 (0.41) TRPA1SMN1; SMN2MAPTGAAALDH1A1

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 TRPA1 1229/4885SMN1; SMN2 3644/4885PKM 662/4885

“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.