SCHEMBL5034757

SCHEMBL5034757

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc(C(=O)NC3CCCCC3)cs2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 3/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CFTR P13569 1/20 0.40
TYR P14679 1/20 0.40
PTK2 Q05397 1/20 0.39
GRM4 Q14833 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
SCHEMBL5034732 0.91 CNR1 (0.44) NPC1RAB9AL3MBTL1CNR1ALDH1A1
SCHEMBL5036054 0.87 RAB9A (0.39) NPC1RAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL5032563 0.83 ALDH1A1 (0.47) ALDH1A1GRM4
SCHEMBL5032672 0.83 TLR7 (0.40) NPC1RAB9AMEN1KMT2AGRM4
SCHEMBL5035133 0.82 HPGD (0.47) ALDH1A1MEN1KMT2A
SCHEMBL5035129 0.81 TRPC3 (0.40) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL27664741 0.80 HTR2C (0.47)
SCHEMBL5032679 0.79 LMNA (0.47) NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL27643397 0.79 POLB (0.44) NPC1RAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL27664669 0.79 POLB (0.44) NPC1RAB9AL3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN claimed
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
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN 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
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN 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
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
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN 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 NPC1 313/4885RAB9A 1847/4885L3MBTL1 2979/4885

“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.