SCHEMBL331722

SCHEMBL331722

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
HCAR3 P49019 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL331886 0.92 MEN1 (0.39) MEN1KMT2AHCAR3SMN1; SMN2CNR1
SCHEMBL331635 0.86 MEN1 (0.41) MEN1KMT2AHCAR3SMN1; SMN2CNR1
SCHEMBL331842 0.85 MEN1 (0.35) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL330893 0.85 KMT2A (0.38) MEN1KMT2AHCAR3SMN1; SMN2CNR1
SCHEMBL8296901 0.83 KMT2A (0.42) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL332743 0.81 MEN1 (0.41) MEN1KMT2AHCAR3SMN1; SMN2CNR1
SCHEMBL5370483 0.81 MEN1 (0.32) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL331219 0.80 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL333010 0.80 MEN1 (0.38) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL331565 0.80 KMT2A (0.38) MEN1KMT2ASMN1; SMN2CNR1CNR2

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 MEN1 702/4885KMT2A 4632/4885HCAR3 1926/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885HCAR3 1926/4885

“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.