SCHEMBL224997

SCHEMBL224997

Oc1ccccc1OCc1c[nH]cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
MAPT P10636 2/20 0.47
JAK2 O60674 1/20 0.47
LMNA P02545 1/20 0.47
APP P05067 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL6358732 0.88 ALDH1A1 (0.38) LMNAAPPSMN1; SMN2ALDH1A1DRD2
SCHEMBL224554 0.80 LTA4H (0.50) MAPTDRD2
SCHEMBL224611 0.80 TP53 (0.45) GAAMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL224876 0.80 MEN1 (0.44) ALDH1A1
SCHEMBL223566 0.80 ALDH1A1 (0.50) MAPTAPPSMN1; SMN2ALDH1A1HPGD
SCHEMBL226843 0.80 NISCH (0.48) GAAMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL225470 0.78 ADRA1D (0.55) LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL222619 0.78 NISCH (0.50) GAAMAPTHPGDHSD17B10ATM
Histamine SCHEMBL4800524 0.77 GAA (0.38) GAAMAPTJAK2LMNAAPP
SCHEMBL224978 0.76 NISCH (0.51) MAPTLMNASMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US claimed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US claimed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
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-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US 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
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 GAA 2349/4885MAPT 1256/4885JAK2 752/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 GAA 2349/4885MAPT 1256/4885JAK2 752/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 GAA 2349/4885MAPT 1256/4885JAK2 752/4885

“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.