SCHEMBL331842

SCHEMBL331842

CC(C)OCCn1nc(C(=O)O)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 3/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 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
SCHEMBL331565 0.91 KMT2A (0.38) MEN1KMT2ALMNAPOLBHTT
SCHEMBL331722 0.85 MEN1 (0.39) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL8295680 0.84 KMT2A (0.39) MEN1KMT2ALMNAPOLBHTT
SCHEMBL331635 0.83 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL330893 0.82 KMT2A (0.38) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL331886 0.81 MEN1 (0.39) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL331640 0.81 SMN1; SMN2 (0.40) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL4703006 0.80 LMNA (0.40) MEN1KMT2ALMNAPOLBHTT
SCHEMBL331829 0.78 LMNA (0.37) MEN1KMT2ALMNAPOLBHTT
SCHEMBL5370483 0.78 MEN1 (0.32) MEN1KMT2APOLBALDH1A1MAPT

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 MEN1 702/4885KMT2A 4632/4885LMNA 4275/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885LMNA 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.