SCHEMBL223663

SCHEMBL223663

FC(F)(F)Oc1ccccc1OCc1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
GPR84 Q9NQS5 1/20 0.36
HCAR1 Q9BXC0 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
QPCT Q16769 1/20 0.34
HSD11B1 P28845 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRB P23467 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
SCN9A Q15858 2/20 0.32
HDAC3 O15379 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
SCHEMBL6358732 0.87 ALDH1A1 (0.38) ALDH1A1DRD2
SCHEMBL221819 0.82 MRGPRX4 (0.46) RXRARXRBRXRGHTR2CDRD2
SCHEMBL224554 0.80 LTA4H (0.50) SLC6A4DRD2SLC6A3
SCHEMBL223566 0.80 ALDH1A1 (0.50) RXRAPOLBALDH1A1
SCHEMBL224876 0.80 MEN1 (0.44) HDAC1HDAC6ALDH1A1
SCHEMBL223976 0.77 RXRA (0.43) RXRA
SCHEMBL226843 0.76 NISCH (0.48) RXRARXRBRXRGALDH1A1
SCHEMBL224611 0.76 TP53 (0.45) RXRARXRBHDAC6ALDH1A1
SCHEMBL224997 0.76 GAA (0.47) ALDH1A1DRD2
SCHEMBL224978 0.76 NISCH (0.51) POLBNPSR1ALDH1A1

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 11 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
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-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 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
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 RXRA 1146/4885RXRB 1288/4885RXRG 1307/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 RXRA 1146/4885RXRB 1288/4885RXRG 1307/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 RXRA 1146/4885RXRB 1288/4885RXRG 1307/4885

“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.