SCHEMBL225156

SCHEMBL225156

c1ccc(Cc2ccccc2OCc2c[nH]cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ NISCH Q9Y2I1 1/20 0.52
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ DRD2 P14416 7/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ HRH1 P35367 8/20 0.46
▸ DRD1 P21728 7/20 0.46
▸ DRD5 P21918 6/20 0.46
▸ DRD4 P21917 5/20 0.46
▸ DRD3 P35462 5/20 0.46

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
SCHEMBL224554 0.84 LTA4H (0.50) L3MBTL1DRD2HTR1AABCB1
SCHEMBL6358732 0.82 ALDH1A1 (0.38) L3MBTL1SMN1; SMN2DRD2HTR1ALMNA
SCHEMBL222619 0.82 NISCH (0.50) NISCHTSHRL3MBTL1HPGDDRD2
SCHEMBL226843 0.78 NISCH (0.48) NISCHTSHRL3MBTL1HPGDSMN1; SMN2
SCHEMBL10601013 0.77 DRD2 (0.69) MAOAMAOBNISCHTP53CYP1A2
SCHEMBL649075 0.77 ALDH1A1 (0.46) CYP1A2TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL225470 0.76 ADRA1D (0.55) MAOAMAOBNISCHTP53L3MBTL1
SCHEMBL223566 0.75 ALDH1A1 (0.50) CYP1A2L3MBTL1HPGDSMN1; SMN2HTR1A
SCHEMBL224876 0.75 MEN1 (0.44) CYP1A2CYP3A4CYP2C9L3MBTL1
SCHEMBL224611 0.75 TP53 (0.45) TP53CYP1A2TSHRL3MBTL1HPGD

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 MAOA 169/4885MAOB 230/4885NISCH 720/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 MAOA 169/4885MAOB 230/4885NISCH 720/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 MAOA 169/4885MAOB 230/4885NISCH 720/4885

“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.

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