SCHEMBL6936412

SCHEMBL6936412

Cc1c(CCO)sc[n+]1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TKT P29401 17/20 0.56
▸ HSP90AA1 P07900 1/20 0.47

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
Bromide SCHEMBL3854523 0.99 TKT (0.55) TKTHSP90AA1
SCHEMBL13741511 0.78 TKT (0.69) TKTHSP90AA1
Hydrochloric Acid SCHEMBL21337 0.73 LMNA (0.63) TKTHSP90AA1
Hydrochloric Acid SCHEMBL29995247 0.73 TKT (0.60) TKTHSP90AA1
SCHEMBL249846 0.73 ALDH1A1 (0.68) —
SCHEMBL29761314 0.72 TKT (0.46) TKTHSP90AA1
SCHEMBL13741392 0.72 TKT (1.00) TKTHSP90AA1
Thiamine Ion SCHEMBL29376635 0.71 HSP90AA1 (0.87) TKTHSP90AA1
Hydrochloric Acid SCHEMBL4102447 0.71 TKT (0.98) TKTHSP90AA1
Thiamine Ion SCHEMBL21751926 0.71 HSP90AA1 (0.85) TKTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 — — EP claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 — — US claimed
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 — — US disclosed
US-20020182165-A1 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment FARRINGTON PHARMACEUTICALS, LLC 2002-12-05 — — US 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 (2 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-20090209554-A1 Thiazoliums as transketolase inhibitors TKT, RRM2, TYMS TKT 1/4885HSP90AA1 3622/4885
US-20020182165-A1 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment COL1A1, KRT18, COL2A1 TKT 1088/4885HSP90AA1 976/4885

“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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