SCHEMBL5569471

SCHEMBL5569471

CN(C)C=NC(=S)NCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.54
▸ CA12 O43570 6/20 0.51
▸ CA1 P00915 6/20 0.51
▸ CA2 P00918 6/20 0.51
▸ CA9 Q16790 6/20 0.51
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM5 P08912 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL5569468 1.00 TDP1 (0.54) TDP1CA12CA1CA2CA9
SCHEMBL5564515 0.99 TDP1 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL5564511 0.99 TDP1 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL5568883 0.96 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL5568886 0.96 TDP1 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL5569758 0.93 TDP1 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL14421815 0.93 TDP1 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL5569752 0.93 TDP1 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL5568121 0.83 CA14 (0.40) TDP1CA12CA1CA2CA9
SCHEMBL5568123 0.83 CA14 (0.40) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 — — EP disclosed
EP-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 — — EP disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 — — US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 — — US disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 — — 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-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 TDP1 3074/4885CA12 4257/4885CA1 3373/4885

“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.

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