SCHEMBL2292748

SCHEMBL2292748

COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cc(C)cc2[N+](=O)[O-])c(OCC(N)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRIM33 Q9UPN9 3/20 0.32
TRIM24 O15164 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
HTT P42858 2/20 0.30
POLB P06746 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
SCHEMBL2295004 0.91 TRPA1 (0.38) TRPA1MAPK1ALDH1A1MEN1MAPT
SCHEMBL2293360 0.91 TRPA1 (0.36) TRPA1MAPK1ALDH1A1MEN1MAPT
SCHEMBL2287359 0.88 TRPA1 (0.39) TRPA1ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL2292386 0.87 TRPA1 (0.37) TRPA1ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL2290879 0.86 TRPA1 (0.38) TRPA1ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL2293915 0.86 TRPA1 (0.40) TRPA1ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL2289183 0.86 TRPA1 (0.42) TRPA1MAPK1ALDH1A1MAPTKMT2A
SCHEMBL2292370 0.85 TRPA1 (0.42) TRPA1ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL2288415 0.84 TRPA1 (0.41) TRPA1ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL2290283 0.84 TRPA1 (0.38) TRPA1MAPTCYP11B1CYP11B2TRIM33

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 1229/4885MAPK1 224/4885ALDH1A1 778/4885

“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.