SCHEMBL8296901

SCHEMBL8296901

COCCn1nc(C(=O)OC)c([N+](=O)[O-])c1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
PKM P14618 1/20 0.36
POLB P06746 3/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 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
SCHEMBL8295699 0.92 MEN1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL331219 0.91 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL8253700 0.88 MEN1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL8295680 0.87 KMT2A (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL10252097 0.87 MEN1 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL332114 0.84 SMN1; SMN2 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL331722 0.83 MEN1 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL27623414 0.82 MEN1 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL8295292 0.81 KMT2A (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL332743 0.81 MEN1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1

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 8 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
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-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-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 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 (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-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 KMT2A 4632/4885MEN1 702/4885ALDH1A1 851/4885

“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.