SCHEMBL5771322

SCHEMBL5771322

COc1nc2cccc([N+](=O)[O-])c2[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
ADORA3 P0DMS8 2/20 0.44
TYMS P04818 1/20 0.43
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
APEX1 P27695 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS2 P35228 1/20 0.42
RECQL P46063 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
SCHEMBL11370268 0.81 PARP1 (0.51) PARP1ADORA3TYMSMAPTTDP1
SCHEMBL5772298 0.78 PARP1 (0.45) PARP1KDM4EHPGDTSHRNPSR1
SCHEMBL1013587 0.77 MAPT (0.53) PARP1MAPTTDP1MEN1KMT2A
SCHEMBL6332534 0.76 MAPT (0.51) PARP1ADORA3MAPTTDP1MEN1
SCHEMBL27438102 0.75 MEN1 (0.55) ADORA3TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL13405568 0.74 PTGS1 (0.43) PARP1MAPTSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL1201707 0.73 TYMS (0.56) PARP1TYMSMAPTTDP1MEN1
SCHEMBL1487573 0.73 MAPT (0.49) PARP1ADORA3MAPTTDP1MEN1
SCHEMBL28195331 0.73 MAPT (0.49) PARP1ADORA3MAPTTDP1MEN1
SCHEMBL27589479 0.72 GAA (0.56) PARP1MAPTTDP1MEN1KMT2A

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-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed
US-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions HRH4, HRH3, LTB4R PARP1 1320/4885ADORA3 203/4885TYMS 4062/4885

“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.