SCHEMBL4767339

SCHEMBL4767339

Cc1c([N+](=O)[O-])c(=O)n(Cc2ccoc2)c(=O)n1Cc1ccoc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
PARG Q86W56 1/20 0.38
GNRHR P30968 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
DCTPP1 Q9H773 2/20 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
SCHEMBL4766012 0.92 PDE4A (0.38) HSPD1HSPE1KMT2AMEN1PARG
SCHEMBL4766297 0.91 HSPD1 (0.36) HSPD1HSPE1KMT2AMEN1PARG
SCHEMBL4762307 0.90 DCTPP1 (0.44) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL4762645 0.90 PARG (0.45) HSPD1HSPE1KMT2AMEN1PARG
SCHEMBL4762551 0.89 PDE5A (0.40) HSPD1HSPE1KMT2AMEN1PARG
SCHEMBL4767367 0.80 HSPD1 (0.41) HSPD1HSPE1KMT2AMEN1PARG
SCHEMBL4766006 0.78 PDE4A (0.44) HSPD1HSPE1KMT2AMEN1ALDH1A1
SCHEMBL4869916 0.77 PARG (0.36) HSPD1HSPE1KMT2AMEN1PARG
SCHEMBL4770686 0.76 DCTPP1 (0.51) KMT2AMEN1ALDH1A1NPC1MAPT
SCHEMBL4767325 0.75 P2RX3 (0.54) HSPD1HSPE1KMT2AMEN1PARG

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 HSPD1 1658/4885HSPE1 2488/4885KMT2A 1806/4885

“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.