SCHEMBL4771049

SCHEMBL4771049

COn1c(=O)c([N+](=O)[O-])c(C)n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
TLR9 Q9NR96 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 2/20 0.32
PKM P14618 1/20 0.32
NTSR1 P30989 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
SCHEMBL480656 0.80 KDM4E (0.53) MAPTALDH1A1MAPK1KDM4ELMNA
SCHEMBL4762679 0.75 PDE5A (0.33) ALDH1A1KDM4ENPSR1SMN1; SMN2POLB
SCHEMBL4769258 0.73 PDE4D (0.33)
SCHEMBL4767319 0.72 ALDH1A1 (0.42) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL4058512 0.71 ADORA2A (0.38) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL4762458 0.70 PDE1A (0.44) ALDH1A1MAPK1KDM4ELMNANPSR1
SCHEMBL4762549 0.69 CA9 (0.36) MAPTSMN1; SMN2HTTPOLBPKM
SCHEMBL4767722 0.69 PDE4A (0.40) ALDH1A1LMNANPSR1SMN1; SMN2KMT2A
SCHEMBL4771332 0.68 KDM4E (0.36) MAPTALDH1A1MAPK1KDM4ESMN1; SMN2
SCHEMBL4762278 0.68 DCTPP1 (0.49) MAPTALDH1A1MAPK1KDM4ELMNA

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 MAPT 4503/4885ALDH1A1 1178/4885MAPK1 4185/4885

“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.