SCHEMBL4770686

SCHEMBL4770686

COc1ccc(Cn2c(C)c([N+](=O)[O-])c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.48
RGS4 P49798 1/20 0.44
CMA1 P23946 1/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.43
P2RX4 Q99571 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL5741824 0.92 PDE1A (0.47) DCTPP1NPC1RAB9AALDH1A1MAPT
SCHEMBL4769603 0.91 DCTPP1 (0.46) DCTPP1NPC1RAB9AALDH1A1MAPT
SCHEMBL4762307 0.90 DCTPP1 (0.44) DCTPP1NPC1RAB9AALDH1A1MAPT
SCHEMBL4762278 0.90 DCTPP1 (0.49) DCTPP1NPC1RAB9AALDH1A1MAPT
SCHEMBL4767673 0.89 PDE5A (0.53) DCTPP1NPC1RAB9AADORA3
SCHEMBL4790609 0.88 MAPT (0.44) DCTPP1ALDH1A1MAPTKDM4ETHRB
SCHEMBL4790612 0.83 DCTPP1 (0.42) DCTPP1NPC1RAB9AALDH1A1KDM4E
SCHEMBL4766006 0.81 PDE4A (0.44) DCTPP1NPC1RAB9AALDH1A1MAPT
SCHEMBL4767325 0.81 P2RX3 (0.54) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4765767 0.80 ALDH1A1 (0.53) DCTPP1NPC1RAB9AALDH1A1MAPT

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 DCTPP1 3735/4885NPC1 3709/4885RAB9A 2087/4885

“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.