SCHEMBL332683

SCHEMBL332683

COC(=O)c1[nH]nc(C(=O)O)c1C(C[N+](=O)[O-])OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL331415 0.93 KDM4C (0.36) KDM4CALDH1A1LMNA
SCHEMBL4216974 0.73
SCHEMBL331416 0.72 KDM4C (0.40) KDM4CALDH1A1LMNA
SCHEMBL332684 0.72 KDM4C (0.40) KDM4CALDH1A1LMNA
SCHEMBL27642437 0.67 KDM4C (0.54) KDM4CALDH1A1LMNA
SCHEMBL4038517 0.66 KDM4C (0.56) KDM4CALDH1A1LMNA
SCHEMBL331623 0.63 KDM4C (0.61) KDM4CALDH1A1LMNA
SCHEMBL332682 0.62 POLB (0.32) ALDH1A1
SCHEMBL16919030 0.62 KDM4C (0.62) KDM4CALDH1A1LMNA
SCHEMBL7254882 0.61 KDM4C (0.53) KDM4CALDH1A1LMNA

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 7 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
EP-1689751-A1 5,7-DIAMINOPYRAZOLO¬4,3-D|PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY Pfizer Limited (GB) 2006-08-16 EP disclosed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 US disclosed
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 WO 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 KDM4C 3970/4885ALDH1A1 851/4885LMNA 4275/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 KDM4C 3970/4885ALDH1A1 851/4885LMNA 4275/4885

“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.