SCHEMBL16217257

SCHEMBL16217257

O=[N+]([O-])c1ccc2c(c1)c(I)cn2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.50
▸ SLC29A1 Q99808 1/20 0.45
▸ TYMS P04818 1/20 0.43
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KRAS P01116 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ TK2 O00142 1/20 0.38

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
SCHEMBL2953389 1.00 TK1 (0.50) TK1SLC29A1TYMSLMNASMN1; SMN2
SCHEMBL14395733 0.88 SLC29A1 (0.45) TK1SLC29A1TYMSLMNASMN1; SMN2
SCHEMBL13264893 0.87 SLC29A1 (0.45) TK1SLC29A1TYMSLMNASMN1; SMN2
SCHEMBL14395965 0.87 TK1 (0.46) TK1SLC29A1TYMSLMNASMN1; SMN2
SCHEMBL16217253 0.85 SLC29A1 (0.43) TK1SLC29A1TYMSLMNASMN1; SMN2
SCHEMBL16220659 0.85 SLC29A1 (0.43) TK1SLC29A1TYMSLMNASMN1; SMN2
SCHEMBL19113318 0.82 SLC29A1 (0.43) TK1SLC29A1TYMSLMNASMN1; SMN2
SCHEMBL16217252 0.82 SLC29A1 (0.43) TK1SLC29A1TYMSLMNASMN1; SMN2
SCHEMBL16220654 0.81 TK1 (0.52) TK1TYMSLMNASMN1; SMN2CYP1A2
SCHEMBL12732344 0.80 SLC29A1 (0.47) TK1SLC29A1TYMSLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988680-B2 Non-natural nucleosides as theranostic agents CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 — — US disclosed
US-20140329236-A1 NON-NATURAL NUCLEOSIDES AS THERANOSTIC AGENTS CASE WESTERN RESERVE UNIVERSITY 2014-11-06 — — 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-20140329236-A1 NON-NATURAL NUCLEOSIDES AS THERANOSTIC AGENTS TYMP, TYMS, UNG TK1 24/4885SLC29A1 50/4885TYMS 2/4885

“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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