SCHEMBL5032672

SCHEMBL5032672

COCNC(=O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM4 Q14833 2/20 0.36
S1PR1 P21453 1/20 0.36
MEN1 O00255 3/20 0.36
NR1H4 Q96RI1 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
SCHEMBL5032635 0.90 FLT1 (0.40) TLR7LMNAHPGDMAPTHTT
SCHEMBL5035133 0.90 HPGD (0.47) SMN1; SMN2LMNAHPGDMAPTHTT
SCHEMBL6477431 0.89 KDM4E (0.38) SMN1; SMN2LMNAMAPTHTTNPSR1
SCHEMBL5038949 0.88 MAPT (0.40) TLR7SMN1; SMN2LMNAHPGDMAPT
SCHEMBL5041310 0.86 CES2 (0.37) SMN1; SMN2CES2CES1LMNAHPGD
SCHEMBL5032563 0.86 ALDH1A1 (0.47) TLR7SMN1; SMN2CES2CES1LMNA
SCHEMBL5034756 0.85 HPGD (0.43) SMN1; SMN2LMNAHPGDMAPTHTT
SCHEMBL5032679 0.84 LMNA (0.47) SMN1; SMN2CES2CES1LMNAHPGD
SCHEMBL5032680 0.84 CES2 (0.41) TLR7SMN1; SMN2CES2CES1LMNA
SCHEMBL5034757 0.83 NPC1 (0.44) KMT2AGRM4MEN1NPC1RAB9A

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-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
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 TLR7 618/4885SMN1; SMN2 3460/4885CES2 105/4885

“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.