SCHEMBL224611

SCHEMBL224611

Clc1ccccc1OCc1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ FFAR1 O14842 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL3836799 0.91 TP53 (0.40) TP53HTTFFAR1RAB9ANPC1
SCHEMBL6358732 0.88 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL222798 0.87 MRGPRX4 (0.46) TP53HTTRAB9ANPC1SMN1; SMN2
SCHEMBL224997 0.80 GAA (0.47) TP53SMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL224876 0.80 MEN1 (0.44) FFAR1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL223566 0.80 ALDH1A1 (0.50) FFAR1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL224554 0.80 LTA4H (0.50) L3MBTL1MAPTTDP1MAPK1
SCHEMBL226843 0.80 NISCH (0.48) HTTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3839017 0.78 MRGPRX4 (0.39) TP53HTTFFAR1SMN1; SMN2KDM4E
SCHEMBL225470 0.78 ADRA1D (0.55) TP53HTTRAB9ASMN1; SMN2L3MBTL1

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
CN-101578271-A 4-imidazolines as TAAR's ligands HOFFMANN LA ROCHE (CH) 2009-11-11 — — CN 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
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 TP53 4092/4885HTT 2606/4885FFAR1 128/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TP53 4092/4885HTT 2606/4885FFAR1 128/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TP53 4092/4885HTT 2606/4885FFAR1 128/4885

“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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