SCHEMBL4881064

SCHEMBL4881064

CC1=C(CCO)SCN1Cc1ccc(C)nc1N

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TKT P29401 20/20 0.50

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
Hydrochloric Acid SCHEMBL1267203 0.99 TKT (0.49) TKT
SCHEMBL30758706 0.81 TKT (0.51) TKT
SCHEMBL261033 0.81 TKT (0.51) TKT
Hydrochloric Acid SCHEMBL29404983 0.81 TKT (0.50) TKT
Hydrochloric Acid SCHEMBL9000282 0.80 TKT (0.49) TKT
Bromide SCHEMBL29044448 0.74 TKT (0.46) TKT
Quinoline SCHEMBL27627708 0.74 TKT (0.42) TKT
SCHEMBL4252730 0.72 ALDH1A1 (0.43)
Bromide SCHEMBL7626002 0.70 ALDH1A1 (0.43)
Hydrochloric Acid SCHEMBL16697601 0.68 TKT (0.40) TKT

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
US-20080234304-A1 N3-Pyridyl-Thiamine And Its Use In Cancer Treatments AVEO PHARMACEUTICALS, INC. (US) 2008-09-25 US disclosed
US-20070292888-A1 Methods for Measuring Enzyme Activities in Cells, Blood, Tumors and Tissues GEN-PATH PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
WO-2005094803-A2 N3-PYRIDYL-THIAMINE AND ITS USE IN CANCER TREATMENTS AVEO PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed
WO-2005095636-A2 METHODS FOR MEASURING ENZYME ACTIVITIES IN CELLS, BLOOD, TUMORS AND TISSUES AVEO PHARMACEUTICALS, INC. (US) 2005-10-13 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-20080234304-A1 N3-Pyridyl-Thiamine And Its Use In Cancer Treatments SLC19A2, TYMS, NAMPT TKT 12/4885

“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.