SCHEMBL5098347

SCHEMBL5098347

Fc1ccc(-c2[nH]c(=S)n(C3CCN(Cc4ccccc4)CC3)c2-c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.56
DRD4 P21917 9/20 0.56
DRD3 P35462 9/20 0.56
SMN1; SMN2 Q16637 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPK14 Q16539 1/20 0.44
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5104720 0.84 MAPK14 (0.50) MAPK14
SCHEMBL5097682 0.81 MAPK14 (0.49) MAPK14
SCHEMBL5091878 0.79 TDP1 (0.53) SMN1; SMN2ALOX5MAPK14
SCHEMBL6171002 0.77 MAPK14 (0.51) DRD2DRD4DRD3ALOX5MAPK14
SCHEMBL5850265 0.76 MAPK14 (0.51) DRD2DRD4DRD3MAPK14
SCHEMBL5642209 0.75 MAPK14 (0.59) DRD2DRD4DRD3MAPK14
SCHEMBL5642212 0.75 MAPK14 (0.59) DRD2DRD4DRD3MAPK14
SCHEMBL4917883 0.75 MAPK14 (0.71) MAPK14
SCHEMBL1387891 0.74 MAPK14 (0.64) DRD2DRD4DRD3ALOX5MAPK14
SCHEMBL4026933 0.74 MAPK14 (0.64) DRD2DRD4DRD3ALOX5MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 US disclosed
US-20060252810-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics LAUFER STEFAN 2006-11-09 US disclosed
EP-1506187-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-02-16 EP disclosed
EP-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 EP disclosed
WO-2003097633-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2003-11-27 WO disclosed
EP-1362045-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2003-11-19 EP disclosed
WO-2002066458-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2002-08-29 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-20060252810-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG DRD2 807/4885DRD4 941/4885DRD3 1094/4885

“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.