SCHEMBL5036201

SCHEMBL5036201

CNC(N)=O.O=C(O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
IGFBP3 P17936 1/20 0.35
SRD5A2 P31213 1/20 0.34
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRB2 P47870 2/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.34
KDM1A O60341 1/20 0.34
LMNA P02545 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
SCHEMBL5034952 0.92 CYP3A4 (0.46) CYP3A4KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL5035889 0.90 KDM4E (0.43) KDM4ESMN1; SMN2GAARAB9AL3MBTL1
SCHEMBL5035149 0.90 ALDH1A1 (0.41) CYP3A4KDM4ETSHRGAARAB9A
SCHEMBL5034868 0.86 CYP3A4 (0.45) CYP3A4KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL5035778 0.85 RAB9A (0.46) CYP3A4KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL5032527 0.83 ALDH1A1 (0.46) CYP3A4KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL5034860 0.83 CYP3A4 (0.47) CYP3A4KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL5035304 0.81 CYP3A4 (0.54) CYP3A4KDM4ESMN1; SMN2RAB9AL3MBTL1
SCHEMBL5036199 0.81 CYP3A4 (0.41) CYP3A4KDM4ETSHRRAB9AL3MBTL1
SCHEMBL5041155 0.81 CYP3A4 (0.39) CYP3A4KDM4ETSHRCASP1SMN1; SMN2

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 CYP3A4 693/4885KDM4E 3200/4885TSHR 42/4885

“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.