SCHEMBL4868535

SCHEMBL4868535

CCCCn1c(=O)c([N+](=O)[O-])c(-c2cnn(C)c2)n(C(C)OC)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
ADORA2A P29274 5/20 0.33
ADORA2B P29275 5/20 0.33
ADORA1 P30542 3/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PARG Q86W56 1/20 0.32
ERN1 O75460 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL4867667 0.86 ADORA2A (0.37) ALDH1A1LMNAKMT2AADORA2AADORA2B
SCHEMBL4865553 0.86 ADORA2B (0.45) ALDH1A1LMNAKMT2AADORA2AADORA2B
SCHEMBL4865964 0.85 ERN1 (0.32) PARGERN1
SCHEMBL4866995 0.85 ERN1 (0.36) TDP1ERN1KDM5B
SCHEMBL4868539 0.84 ADORA2A (0.36) ALDH1A1LMNAKMT2AADORA2AADORA2B
SCHEMBL4865956 0.83 RGS4 (0.38) LMNAKMT2AADORA2AADORA2BADORA1
SCHEMBL4769724 0.82 NCOA1 (0.44) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL4769732 0.82 NCOA1 (0.44) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL4866176 0.82 ADORA2B (0.49) ALDH1A1LMNAKMT2AADORA2AADORA2B
SCHEMBL4885088 0.80 ADORA2B (0.51) ADORA2AADORA2BADORA1ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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 (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 1178/4885LMNA 4664/4885KMT2A 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.