SCHEMBL16234376

SCHEMBL16234376

C=C1NC(=O)C(I)=CN1C1CC(O)C(CO)O1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.48
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ TK2 O00142 1/20 0.40

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
SCHEMBL17232090 0.86 TK1 (0.35) TK1
SCHEMBL15459905 0.85 LMNA (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL13169197 0.85 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL17732550 0.85 LMNA (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL15459912 0.83 TK1 (0.50) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL15235294 0.76 TK1 (0.51) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL15236237 0.76 TK1 (0.51) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL17791202 0.75 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL19033288 0.75 TK1 (0.50) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL22143535 0.75 TK1 (0.50) TK1LMNASMN1; SMN2ADRB1DNMT1

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-9382286-B2 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation EMORY UNIVERSITY (US) 2016-07-05 — — US disclosed
US-20140336143-A1 TREATMENT OF EBV AND KHSV INFECTION AND ASSOCIATED ABNORMAL CELLULAR PROLIFERATION GILEAD PHARMASSET LLC (US) 2014-11-13 — — 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-20140336143-A1 TREATMENT OF EBV AND KHSV INFECTION AND ASSOCIATED ABNORMAL CELLULAR PROLIFERATION UMPS, ENTPD5, TK1 TK1 3/4885LMNA 1844/4885SMN1; SMN2 3121/4885

“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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