SCHEMBL14613250

SCHEMBL14613250

[N-]=[N+]=Nc1nc2c(N)ncnc2n1[C@@H]1OC(COP(=O)(O)OP(=O)(O)OC[C@@H]2NC[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 1/20 0.69
▸ LMNA P02545 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ HBB P68871 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ENTPD1 P49961 1/20 0.55
▸ TRPM2 O94759 1/20 0.55
▸ P2RY1 P47900 2/20 0.53

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
SCHEMBL29413068 0.89 LMNA (0.69) LMNATP53HBBSMN1; SMN2ENTPD1
SCHEMBL15456809 0.89 LMNA (0.69) LMNATP53HBBSMN1; SMN2ENTPD1
SCHEMBL15245119 0.89 LMNA (0.69) LMNATP53HBBSMN1; SMN2ENTPD1
SCHEMBL29810829 0.88 LMNA (0.70) LMNATP53HBBSMN1; SMN2ENTPD1
SCHEMBL14853626 0.87 LMNA (0.67) LMNATP53HBBSMN1; SMN2ENTPD1
SCHEMBL15305337 0.84 SMN1; SMN2 (0.75) LMNATP53HBBSMN1; SMN2ENTPD1
SCHEMBL16543524 0.84 SMN1; SMN2 (0.75) LMNATP53HBBSMN1; SMN2ENTPD1
SCHEMBL29810834 0.84 SMN1; SMN2 (0.75) LMNATP53HBBSMN1; SMN2ENTPD1
SCHEMBL15721814 0.82 ENTPD1 (0.61) LMNATP53HBBSMN1; SMN2ENTPD1
Adenosine Diphosphate (Hydroxymethyl)Pyrrolidinediol SCHEMBL14613252 0.82 PARG (1.00) PARGSMN1; SMN2TRPM2P2RY1

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-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 — — 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-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 PARG 12/4885LMNA 558/4885TP53 2048/4885

“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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