SCHEMBL7005263

SCHEMBL7005263

Nc1ccn([C@@]2(c3cccc([N+](=O)[O-])c3O)C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.37
PDE4D Q08499 1/20 0.37
SLC29A1 Q99808 1/20 0.37
LMNA P02545 3/20 0.36
THRB P10828 1/20 0.36
MTOR P42345 1/20 0.36
MDM2 Q00987 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CACNA1F O60840 2/20 0.32
ALB P02768 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL7013069 0.83 PDE3A (0.41) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL888172 0.78 SLC29A1 (0.37) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL7012044 0.78 PDE3A (0.38) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL888071 0.76 LMNA (0.37) PDE3APDE4DSLC29A1LMNATHRB
Phosphoric Acid SCHEMBL1514933 0.75 SLC29A1 (0.35) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL6842457 0.75 PDE3A (0.41) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL28379714 0.72 PDE3A (0.47) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL3424602 0.72 PDE3A (0.47) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL1939478 0.72 PDE3A (0.47) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL7794942 0.71 PDE3A (0.46) PDE3APDE4DSLC29A1LMNATHRB

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-20030207824-A1 Pyrimidine derivatives for labeled binding partners MATTEUCCI MARK D (US) 2003-11-06 US disclosed
EP-0719272-B1 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS INC (US) 2003-05-07 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-20030207824-A1 Pyrimidine derivatives for labeled binding partners HNRNPH3, NSUN2, HNRNPH1 PDE3A 4815/4885PDE4D 4696/4885SLC29A1 109/4885

“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.