SCHEMBL5694100

SCHEMBL5694100

C=CCOC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1OP(=O)(OCC=C)OCCC#N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 4/20 0.48
▸ PNP P00491 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ P2RY1 P47900 5/20 0.42
▸ P2RY11 Q96G91 2/20 0.42
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL5694199 0.93 CA5A (0.42) NT5EPNPLMNATP53HTT
SCHEMBL5908150 0.91 NT5E (0.45) NT5EPNPLMNATP53HTT
SCHEMBL5694106 0.90 POLB (0.45) PDE4DPDE3ASMN1; SMN2P2RY1P2RY11
SCHEMBL5694389 0.86 DNMT1 (0.40) NT5ELMNATP53HTTP2RY1
SCHEMBL5908147 0.83 CA5A (0.40) NT5EP2RY1P2RY11
SCHEMBL5908160 0.82 POLG (0.39) P2RY1
SCHEMBL5694113 0.82 POLB (0.42) LMNAPDE3A
SCHEMBL5908146 0.81 P2RX3 (0.45) P2RY1P2RY11
SCHEMBL5694105 0.77 POLB (0.39) P2RY1
SCHEMBL5694235 0.76 NT5E (0.46) NT5EPDE4DPDE3ASMN1; SMN2P2RY1

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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 — — US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — EP 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB NT5E 1192/4885PNP 206/4885LMNA 321/4885

“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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