SCHEMBL224386

SCHEMBL224386

c1ccc2cc(SCc3c[nH]cn3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
BACE1 P56817 6/20 0.38
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL2103758 0.74 BACE1 (0.47) BACE1
SCHEMBL7362771 0.73 BACE1 (0.48) BACE1
SCHEMBL10947781 0.71 ALDH1A1 (0.48) POLBL3MBTL1NPC1MAPTRAB9A
SCHEMBL7974933 0.71 TDP1 (0.51) NPC1MAPTHTTRAB9ATDP1
SCHEMBL6958605 0.69 RELA (0.44) L3MBTL1MAPT
SCHEMBL6958610 0.69 RELA (0.44) L3MBTL1MAPT
SCHEMBL6057087 0.69 MAOA (0.58) ANPEPPOLBNPC1RAB9A
SCHEMBL28251159 0.67 ANPEP (0.53) ANPEPBACE1TDP1LMNASTAT3
SCHEMBL9770073 0.67 BACE1 (0.56) ANPEPBACE1NPC1MAPTHTT
SCHEMBL29738643 0.67 BACE1 (0.56) ANPEPBACE1NPC1MAPTHTT

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 22 patents — showing the first 20. 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-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 US disclosed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 US disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US 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
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 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
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
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US 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 (5 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-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 ANPEP 1753/4885BACE1 2316/4885POLB 3500/4885
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 ANPEP 1551/4885BACE1 2353/4885POLB 3606/4885
US-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ANPEP 1344/4885BACE1 3777/4885POLB 4762/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ANPEP 1344/4885BACE1 3777/4885POLB 4762/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ANPEP 1344/4885BACE1 3777/4885POLB 4762/4885

“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.