SCHEMBL222298

SCHEMBL222298

Fc1ccc(OCc2c[nH]cn2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
MAOB P27338 5/20 0.38
AOC3 Q16853 1/20 0.38
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
MAOA P21397 3/20 0.36
PPARG P37231 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.35
TRPA1 O75762 1/20 0.35
GRM5 P41594 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL224383 0.86 HRH3 (0.40) FFAR1MAOBMAOAPPARGNPC1
SCHEMBL24302649 0.83 RXRA (0.35) FFAR1MAOBCSNK1A1CSNK1DGSK3B
SCHEMBL222797 0.77 MRGPRX4 (0.43) MAOBMAOANPC1RAB9APOLB
SCHEMBL221820 0.76 LMNA (0.45) FFAR1MAOBPOLB
SCHEMBL225011 0.75 SOD1 (0.36) PPARGGRM5L3MBTL1
SCHEMBL13359943 0.75 NPC1 (0.47) MAOBNPC1RAB9A
SCHEMBL4427549 0.74 KCNH2 (0.55) MAOBMAOANPC1RAB9AGRM5
SCHEMBL224970 0.73 LMNA (0.50) MAOBAOC3MAOAL3MBTL1
SCHEMBL223976 0.73 RXRA (0.43) MAOBPPARG
SCHEMBL224876 0.72 MEN1 (0.44) FFAR1GRM5L3MBTL1

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 FFAR1 128/4885MAOB 230/4885AOC3 265/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 FFAR1 128/4885MAOB 230/4885AOC3 265/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 FFAR1 128/4885MAOB 230/4885AOC3 265/4885

“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.