SCHEMBL4767367

SCHEMBL4767367

Cc1[nH]c(=O)n(Cc2ccoc2)c(=O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
TLR9 Q9NR96 2/20 0.34
TNF P01375 1/20 0.34
POLB P06746 1/20 0.34
CXCL8 P10145 1/20 0.34
G6PD P11413 1/20 0.34
PAX8 Q06710 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
PARG Q86W56 1/20 0.33
DHFR P00374 1/20 0.33
TYMS P04818 1/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL4765819 0.80 HSPD1 (0.42) HSPD1HSPE1MEN1KMT2AMAPT
SCHEMBL4762293 0.80 KMT2A (0.48) HSPD1HSPE1MEN1KMT2AKDM4E
SCHEMBL4767339 0.80 HSPD1 (0.40) HSPD1HSPE1MEN1KMT2AMAPT
SCHEMBL4765767 0.78 ALDH1A1 (0.53) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL4762645 0.78 PARG (0.45) HSPD1HSPE1MEN1KMT2AMAPT
SCHEMBL4766297 0.74 HSPD1 (0.36) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL4769800 0.73 ALDH1A1 (0.42) HSPD1HSPE1MEN1KMT2AMAPT
SCHEMBL4766012 0.73 PDE4A (0.38) HSPD1HSPE1MEN1KMT2AHTT
SCHEMBL4772758 0.73 ADORA2B (0.50) HSPD1HSPE1MEN1KMT2AMAPT
SCHEMBL4762551 0.72 PDE5A (0.40) HSPD1HSPE1MEN1KMT2APARG

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 HSPD1 1658/4885HSPE1 2488/4885MEN1 4726/4885

“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.