SCHEMBL5034816

SCHEMBL5034816

CCO[C@H]1CCN(C(=O)c2nc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(OC)c(OC)c3)sc2C)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
F10 P00742 2/20 0.35
TSHR P16473 1/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4B Q07343 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
GAA P10253 1/20 0.33
PIK3CB P42338 1/20 0.33
CYP3A4 P08684 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL5034814 1.00 RAB9A (0.37) RAB9ANPC1F10TSHRHCRTR1
SCHEMBL5035192 0.92 CYP3A4 (0.38) RAB9ATSHRCYP3A4
SCHEMBL5035195 0.92 CYP3A4 (0.38) RAB9ATSHRCYP3A4
SCHEMBL5034690 0.89 CNR1 (0.40) RAB9ANPC1HCRTR1HCRTR2ALDH1A1
SCHEMBL5034740 0.86 RAB9A (0.39) RAB9ANPC1F10ALDH1A1PIK3CD
SCHEMBL14190192 0.86 RAB9A (0.39) RAB9ANPC1F10ALDH1A1PIK3CD
SCHEMBL5034741 0.86 RAB9A (0.39) RAB9ANPC1F10ALDH1A1PIK3CD
SCHEMBL5032649 0.86 ALDH1A1 (0.48) RAB9ANPC1TSHRALDH1A1GAA
SCHEMBL5035881 0.86 KMT2A (0.39) RAB9ANPC1F10HCRTR1HCRTR2
SCHEMBL5032570 0.84 CNR1 (0.40) HCRTR1HCRTR2ALDH1A1

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 RAB9A 1847/4885NPC1 313/4885F10 2655/4885

“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.