SCHEMBL224925

SCHEMBL224925

Cc1[nH]cnc1CSc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
GABRR1 P24046 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46
HRH4 Q9H3N8 2/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR3A P46098 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CD44 P16070 1/20 0.41
NISCH Q9Y2I1 1/20 0.39

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
SCHEMBL11102609 0.73 HTR3A (0.54) L3MBTL1SMN1; SMN2GABRR1HRH4HRH2
SCHEMBL8528267 0.72
SCHEMBL10678280 0.69 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2GABRR1SLC47A1HRH4
SCHEMBL11049254 0.68 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2GABRR1SLC47A1HRH4
SCHEMBL11107349 0.68 GABRR1 (0.41) L3MBTL1SMN1; SMN2GABRR1SLC47A1HRH4
SCHEMBL11544506 0.67 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2GABRR1SLC47A1HRH4
SCHEMBL11046386 0.67 HTR3A (0.48) L3MBTL1GABRR1HRH4HRH2HRH1
SCHEMBL2830891 0.66
Bromide SCHEMBL11190708 0.66 L3MBTL1 (0.93) L3MBTL1SMN1; SMN2GABRR1SLC47A1HRH4
Hydrochloric Acid SCHEMBL11545099 0.66 L3MBTL1 (0.71) L3MBTL1SMN1; SMN2GABRR1SLC47A1HRH4

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
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP claimed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO 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 L3MBTL1 4877/4885SMN1; SMN2 4392/4885GABRR1 134/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 L3MBTL1 4877/4885SMN1; SMN2 4392/4885GABRR1 134/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 L3MBTL1 4877/4885SMN1; SMN2 4392/4885GABRR1 134/4885

“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.