SCHEMBL4772753

SCHEMBL4772753

Cc1[nH]c(=O)n(C(C)c2ccccc2)c(=O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.47
PKM P14618 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 4/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
PPP1CA P62136 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MET P08581 1/20 0.37
USP1 O94782 1/20 0.37
CASP1 P29466 1/20 0.36

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
SCHEMBL4762644 0.78 DCTPP1 (0.49) DCTPP1PKMKDM4EKMT2AMEN1
SCHEMBL4762494 0.76 DCTPP1 (0.47) DCTPP1PKMKDM4EKMT2AMEN1
SCHEMBL4765579 0.72 GNRHR (0.44) DCTPP1KDM4EKMT2AMEN1LMNA
SCHEMBL4772758 0.70 ADORA2B (0.50) PKMKDM4EKMT2AMEN1LMNA
SCHEMBL4771445 0.69 GNRHR (0.45) DCTPP1KDM4EKMT2AMEN1LMNA
SCHEMBL4859850 0.69 DCTPP1 (0.41) DCTPP1ALDH1A1HPGD
SCHEMBL4770756 0.68 CYP3A4 (0.50) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL4762675 0.68 PKM (0.53) PKMKDM4EKMT2AMEN1LMNA
SCHEMBL28961751 0.68 MAPK1 (0.42) KDM4EKMT2AMEN1LMNANPSR1
SCHEMBL4859896 0.67 HSP90AA1 (0.47) DCTPP1KDM4EKMT2ALMNAGAA

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 3 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
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 DCTPP1 3735/4885PKM 4149/4885KDM4E 3386/4885

“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.