Thiohydantoin

Thiohydantoin

SCHEMBL5450565

O=C1CNC(=S)N1.c1c[nH]cn1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
FKBP5 Q13451 1/20 0.46

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
Hydantoin SCHEMBL28543076 0.81 ALDH1A1 (0.50) ALDH1A1FKBP5
Thiohydantoin SCHEMBL3520254 0.76
Thiohydantoin SCHEMBL31955553 0.76
Succinimide SCHEMBL27751504 0.75 ALDH1A1 (0.56) ALDH1A1FKBP5
Imidazole SCHEMBL28243896 0.71
Hydantoin SCHEMBL5656545 0.70 CRBN (0.41)
Imidazole SCHEMBL11824031 0.69
Thiohydantoin SCHEMBL1976347 0.69
Imidazole SCHEMBL2635292 0.68
Imidazole SCHEMBL897 0.68

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-20070203344-A1 SYNTHESIS OF IMIDAZOLE 2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. 2007-08-30 US claimed
WO-2007041048-A2 SYNTHESIS OF IMIDAZOLE-2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. (US) 2007-04-12 WO claimed
US-20070196360-A1 SUCCINIMIDE AND MALEIMIDE DERIVATIVES AND THEIR USE AS TOPOISOMERASE II CATALYTIC INHIBITORS TOPOTARGET A/S 2007-08-23 US disclosed
EP-1373494-B1 SUCCINIMIDE AND MALEIMIDE DERIVATIVES AND THEIR USE AS TOPOISOMERASE II CATALYTIC INHIBITORS TOPOTARGET AS (DK) 2006-03-01 EP disclosed
EP-1373494-A2 SUCCINIMIDE AND MALEIMIDE DERIVATIVES AND THEIR USE AS TOPOISOMERASE II CATALYTIC INHIBITORS Topo Target A/S (DK) 2004-01-02 EP disclosed
US-20030032625-A1 Succinimide and maleimide derivatives and their use as topoisomerase II catalytic inhibitors TOPO TARGET APS (DK) 2003-02-13 US disclosed
WO-2002078679-A2 SUCCINIMIDE AND MALEIMIDE DERIVATIVES AND THEIR USE AS TOPOISOMERASE II CATALYTIC INHIBITORS TOPO TARGET APS (DK) 2002-10-10 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 (3 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-20030032625-A1 Succinimide and maleimide derivatives and their use as topoisomerase II catalytic inhibitors TOP2A, TOP2B, TOP1 ALDH1A1 2038/4885FKBP5 1723/4885
US-20070203344-A1 SYNTHESIS OF IMIDAZOLE 2-THIONES VIA THIOHYDANTOINS TPMT, NISCH, IMPDH2 ALDH1A1 784/4885FKBP5 193/4885
US-20070196360-A1 SUCCINIMIDE AND MALEIMIDE DERIVATIVES AND THEIR USE AS TOPOISOMERASE II CATALYTIC INHIBITORS TOP2A, TOP2B, TOP1 ALDH1A1 2038/4885FKBP5 1723/4885

“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.