SCHEMBL224236

SCHEMBL224236

c1ccc(COc2ccccc2OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
BRD4 O60885 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL7844409 0.84 ALOX5 (0.52) SIRT2
SCHEMBL6674214 0.82 KCNH2 (0.46) SIRT2
SCHEMBL222602 0.82 MRGPRX4 (0.41) SIRT2MAPTMAPK1TDP1L3MBTL1
SCHEMBL14289994 0.80 SIRT2 (0.46) SIRT2MAPT
SCHEMBL10818574 0.80 SIRT2 (0.43) SIRT2
SCHEMBL4855420 0.78 SIRT2 (0.48) SIRT2
SCHEMBL14901171 0.77 SIRT2 (0.46) SIRT2
SCHEMBL17558846 0.76 CCNB2 (0.41) SIRT2MAPTMAPK1TDP1L3MBTL1
SCHEMBL1097103 0.75 SIRT2 (0.42) SIRT2MAPTMAPK1TDP1L3MBTL1
SCHEMBL7384162 0.75 ALDH1A1 (0.53) SIRT2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101578271-B 4-imidazolines as taar's ligands HOFFMANN LA ROCHE 2013-06-19 CN disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
CN-101578271-A 4-imidazolines as TAAR's ligands HOFFMANN LA ROCHE (CH) 2009-11-11 CN disclosed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 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 (3 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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 SIRT2 3927/4885MAPT 1256/4885MAPK1 818/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 SIRT2 3927/4885MAPT 1256/4885MAPK1 818/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 SIRT2 3927/4885MAPT 1256/4885MAPK1 818/4885

“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.