SCHEMBL5032680

SCHEMBL5032680

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGS2 P35354 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 3/20 0.34
GRM4 Q14833 2/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 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
SCHEMBL5032643 0.90 FLT1 (0.38) POLBALDH1A1LMNAHSP90AA1MAPT
SCHEMBL5032563 0.89 ALDH1A1 (0.47) CES2CES1SMN1; SMN2KDM4EPTGS2
SCHEMBL6477435 0.88 KDM4E (0.40) SMN1; SMN2KDM4EPOLBALDH1A1LMNA
SCHEMBL5038951 0.87 KDM4E (0.43) SMN1; SMN2KDM4EPOLBALDH1A1LMNA
SCHEMBL5032679 0.85 LMNA (0.47) CES2CES1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5032672 0.84 TLR7 (0.40) CES2CES1SMN1; SMN2KDM4EPTGS2
SCHEMBL5035133 0.82 HPGD (0.47) SMN1; SMN2KDM4EPOLBALDH1A1LMNA
SCHEMBL27643379 0.82 ALDH1A1 (0.42) CES2CES1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27664673 0.82 NPC1 (0.41) CES2CES1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27643378 0.82 HTR2C (0.49) MAPTHPGD

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 CES2 105/4885CES1 118/4885SMN1; SMN2 3460/4885

“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.