SCHEMBL5032584

SCHEMBL5032584

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCCC3C)c(C)s2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.41
HCRTR2 O43614 9/20 0.41
HSD11B1 P28845 1/20 0.40
TRPC3 Q13507 3/20 0.40
TRPC6 Q9Y210 3/20 0.40
TRPA1 O75762 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
LRRK2 Q5S007 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL5035014 0.95 TRPC3 (0.41) HCRTR1HCRTR2HSD11B1TRPC3TRPC6
SCHEMBL5032578 0.90 HCRTR1 (0.39) HCRTR1HCRTR2TRPC3TRPC6TRPA1
SCHEMBL5032582 0.90 HCRTR1 (0.39) HCRTR1HCRTR2TRPC3TRPC6TRPA1
SCHEMBL14190189 0.90 HCRTR1 (0.39) HCRTR1HCRTR2TRPC3TRPC6TRPA1
SCHEMBL5032649 0.88 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL5035881 0.87 KMT2A (0.39) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL5034848 0.86 HSD11B1 (0.41) HCRTR1HCRTR2HSD11B1LRRK2SMN1; SMN2
SCHEMBL5035140 0.85 HSD11B1 (0.41) HCRTR1HCRTR2HSD11B1TRPC3TRPC6
SCHEMBL5034690 0.85 CNR1 (0.40) HCRTR1HCRTR2LRRK2NPC1RAB9A
SCHEMBL5032532 0.84 NPC1 (0.37) HCRTR1HCRTR2NPC1RAB9AALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO 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 (1 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 HCRTR1 6/4885HCRTR2 19/4885HSD11B1 798/4885

“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.