SCHEMBL5035128

SCHEMBL5035128

CN(CCc1ccccc1)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
CYP3A4 P08684 2/20 0.41
NPC1 O15118 1/20 0.41
CCKAR P32238 1/20 0.41
CCKBR P32239 1/20 0.41
TP53 P04637 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 1/20 0.38
SRC P12931 1/20 0.38
CNR1 P21554 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL5032569 0.88 DPP4 (0.46) CYP3A4NPC1KDM4EMEN1KMT2A
SCHEMBL14190164 0.88 CYP3A4 (0.45) CYP3A4NPC1KDM4ESMN1; SMN2NPSR1
SCHEMBL5034751 0.88 CYP3A4 (0.47) CYP3A4NPC1KDM4ESMN1; SMN2NPSR1
SCHEMBL14190180 0.86 CDK8 (0.44) CYP3A4NPC1TP53GAAMAPK1
SCHEMBL5039076 0.86 CYP3A4 (0.39) C5AR1CYP3A4NPC1CCKARCCKBR
SCHEMBL5038953 0.86 CYP3A4 (0.46) CYP3A4NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5032541 0.86 CYP3A4 (0.52) CYP3A4NPC1KDM4ECNR1SMN1; SMN2
SCHEMBL5035888 0.85 CYP3A4 (0.45) CYP3A4NPC1CNR1SMN1; SMN2MEN1
SCHEMBL5034860 0.83 CYP3A4 (0.47) CYP3A4NPC1KDM4ECNR1SMN1; SMN2
SCHEMBL5035139 0.82 CYP3A4 (0.43) CYP3A4NPC1TP53KDM4E

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 C5AR1 771/4885CYP3A4 693/4885NPC1 313/4885

“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.