SCHEMBL4153261

SCHEMBL4153261

COC(=O)c1c(Br)ccn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCC4 O15439 1/20 0.41
PLIN1 O60240 1/20 0.41
CACNA1F O60840 1/20 0.41
GMNN O75496 1/20 0.41
KCNK2 O95069 1/20 0.41
ABCB11 O95342 1/20 0.41
GSR P00390 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4137972 0.78 HTR7 (0.46) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL8072110 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL13872390 0.75 KMT2A (0.43) ALDH1A1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL6298933 0.73 KMT2A (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL7312644 0.71 MAPT (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL6298233 0.70 NR4A2 (0.61) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL4099183 0.70 TDP1 (0.49) ALDH1A1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL4149623 0.69 MAPT (0.44) ALDH1A1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL29892846 0.69 KMT2A (0.53) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL195311 0.69 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTSMN1; SMN2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2009-04-09 US disclosed
EP-1973916-A1 PYRROLO Ýl,2-A¨QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF Faust Pharmaceuticals (FR) 2008-10-01 EP disclosed
WO-2007071379-A1 PYRROLO [l,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-06-28 WO disclosed
EP-1798233-A1 Pyrrolo[1,2-a]quinoxaline derivatives as Adenosine A3 receptor modulators and uses thereof Faust Pharmaceuticals (FR) 2007-06-20 EP 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-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF ADORA3, ADORA2A, ADORA1 ALDH1A1 1300/4885KMT2A 3312/4885MAPT 4584/4885

“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.