SCHEMBL331829

SCHEMBL331829

CO[C@H](C)Cn1nc(C(=O)O)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL332155 0.92 POLB (0.36) LMNAPOLBHTTKMT2AMEN1
SCHEMBL28762839 0.92 POLB (0.36) LMNAPOLBHTTKMT2AMEN1
SCHEMBL4703006 0.86 LMNA (0.40) LMNAPOLBHTTKMT2AMEN1
SCHEMBL8296737 0.84 POLB (0.37) LMNAPOLBHTTKMT2AMEN1
SCHEMBL331614 0.81 SMN1; SMN2 (0.39) LMNAPOLBHTTKMT2AMEN1
SCHEMBL27674176 0.81 SMN1; SMN2 (0.39) LMNAPOLBHTTKMT2AMEN1
SCHEMBL331722 0.78 MEN1 (0.39) POLBKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL331842 0.78 MEN1 (0.35) LMNAPOLBHTTKMT2AMEN1
SCHEMBL331886 0.74 MEN1 (0.39) POLBKMT2AMEN1SMN1; SMN2PKM
SCHEMBL331635 0.74 MEN1 (0.41) KMT2AMEN1NPC1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 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 (2 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-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 LMNA 4275/4885POLB 4781/4885HTT 2457/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 LMNA 4275/4885POLB 4781/4885HTT 2457/4885

“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.