SCHEMBL4772758

SCHEMBL4772758

Cc1[nH]c(=O)n(CCc2ccccc2)c(=O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.50
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
HSPD1 P10809 1/20 0.46
HSPE1 P61604 1/20 0.46
MEN1 O00255 3/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
TLR9 Q9NR96 2/20 0.44
PKM P14618 1/20 0.44
MITF O75030 1/20 0.44
AGTR1 P30556 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4767502 0.80 ADORA2B (0.40) ADORA2BMAPTALDH1A1HPGDHTT
SCHEMBL4762648 0.80 MAPT (0.49) ADORA2BMAPTALDH1A1HPGDHTT
SCHEMBL4762495 0.78 MAPT (0.49) ADORA2BMAPTALDH1A1HPGDHTT
SCHEMBL4766186 0.77 ADORA2B (0.43) ADORA2BMAPTALDH1A1GAAKMT2A
SCHEMBL4769800 0.76 ALDH1A1 (0.42) MAPTALDH1A1HPGDHTTGAA
SCHEMBL4762293 0.75 KMT2A (0.48) ALDH1A1GAAKMT2AHSPD1HSPE1
SCHEMBL4765819 0.75 HSPD1 (0.42) MAPTALDH1A1HPGDHTTGAA
SCHEMBL5775301 0.74 ADORA2B (0.37) ADORA2BMAPTALDH1A1HPGDHTT
SCHEMBL4765585 0.74 MAPT (0.44) ADORA2BMAPTALDH1A1HPGDHTT
SCHEMBL4767367 0.73 HSPD1 (0.41) MAPTALDH1A1HPGDHTTGAA

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 ADORA2B 1/4885MAPT 4503/4885ALDH1A1 1178/4885

“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.