SCHEMBL13741567

SCHEMBL13741567

Cc1ncc(C[n+]2c(C)sc(CCO)c2C)c(N)n1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TKT P29401 10/20 0.68
▸ HSP90AA1 P07900 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.49
▸ PPP5C P53041 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44

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 SCHEMBL2949884 0.99 TKT (0.69) TKTHSP90AA1KDM4EPPP5CTDP1
Hydrochloric Acid SCHEMBL14637039 0.88 HSP90AA1 (0.61) TKTHSP90AA1KDM4EPPP5CTDP1
Hydrochloric Acid SCHEMBL18879467 0.87 HSP90AA1 (0.60) TKTHSP90AA1KDM4EPPP5CTDP1
SCHEMBL13741845 0.85 TKT (0.71) TKTHSP90AA1KDM4EPPP5CTDP1
Hydrochloric Acid SCHEMBL5940670 0.85 HSP90AA1 (0.57) TKTHSP90AA1KDM4EPPP5CTDP1
Hydrochloric Acid SCHEMBL4355811 0.84 TKT (0.70) TKTHSP90AA1KDM4EPPP5CTDP1
SCHEMBL12898292 0.81 TKT (1.00) TKT
Hydrochloric Acid SCHEMBL3363419 0.80 KDM4E (0.47) TKTHSP90AA1KDM4EPPP5CTDP1
Hydrochloric Acid SCHEMBL1267295 0.79 TKT (0.98) TKT
SCHEMBL19598908 0.78 PPP5C (0.50) TKTHSP90AA1KDM4EPPP5CTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 — — 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 (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-20090209554-A1 Thiazoliums as transketolase inhibitors TKT, RRM2, TYMS TKT 1/4885HSP90AA1 3622/4885KDM4E 299/4885

“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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