SCHEMBL4772712

SCHEMBL4772712

CCCCn1c(=O)c([N+](=O)[O-])c(C)n(C(C)OC)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ RGS4 P49798 2/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ GLA P06280 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE4A P27815 3/20 0.31
▸ ADORA2A P29274 3/20 0.31
▸ PDE4B Q07343 3/20 0.31
▸ PDE4C Q08493 3/20 0.31
▸ PDE4D Q08499 3/20 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
SCHEMBL4763502 0.82 TDP1 (0.32) MAPTNCOA1NCOA3TDP1SMN1; SMN2
SCHEMBL4769165 0.81 PDE4A (0.39) ALDH1A1KMT2ALMNANCOA1NCOA3
SCHEMBL4767722 0.79 PDE4A (0.40) ALDH1A1KMT2ALMNANCOA1NCOA3
SCHEMBL4767903 0.79 RGS4 (0.46) ALDH1A1KMT2ALMNAKDM4EMAPT
SCHEMBL4771666 0.79 TDP1 (0.40) ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL8176996 0.78 RGS4 (0.36) ALDH1A1KMT2ALMNAKDM4EMAPT
SCHEMBL4772714 0.78 ADORA2B (0.39) ALDH1A1KMT2ALMNAKDM4EMAPT
SCHEMBL4868535 0.78 ALDH1A1 (0.35) ALDH1A1KMT2ALMNAKDM4EMAPT
SCHEMBL4766301 0.77 RGS4 (0.47) KMT2ALMNAKDM4EMAPTMEN1
SCHEMBL4769732 0.75 NCOA1 (0.44) ALDH1A1KMT2ALMNAKDM4EMAPT

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 ALDH1A1 1178/4885KMT2A 1806/4885LMNA 4664/4885

“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.

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