SCHEMBL4771666

SCHEMBL4771666

COC(C)n1c(C)c([N+](=O)[O-])c(=O)n(C(C)OC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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 0.81 TDP1 (0.32) TDP1MAPTSMN1; SMN2
SCHEMBL4772712 0.79 ALDH1A1 (0.36) TDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL4762644 0.71 DCTPP1 (0.49) TDP1MAPTALDH1A1
SCHEMBL4767578 0.67 DCTPP1 (0.38) TDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL4762679 0.65 PDE5A (0.33) TDP1ALDH1A1SMN1; SMN2
SCHEMBL4771049 0.64 MAPT (0.37) MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL4770944 0.64 ADORA2A (0.39) TDP1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL480656 0.63 KDM4E (0.53) MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL4762458 0.62 PDE1A (0.44) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL10625381 0.62 PKM (0.38) TDP1MAPTALDH1A1MAPK1SMN1; SMN2

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 TDP1 4268/4885MAPT 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.

Send feedback