SCHEMBL6108459

SCHEMBL6108459

O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ GALR2 O43603 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GRM6 O15303 1/20 0.40
▸ GRIA1 P42261 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ GRIA3 P42263 1/20 0.40
▸ GRIA4 P48058 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TYMS P04818 2/20 0.39
▸ NQO2 P16083 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38

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
Dnqx SCHEMBL1258964 0.86 POLB (0.57) POLBGALR2LMNAGRM6GRIA1
SCHEMBL6109752 0.78 POLB (0.44) POLBGALR2LMNAGRM6GRIA1
SCHEMBL6109031 0.78 PGK1 (0.58) POLBGALR2LMNAGRM6GRIA1
SCHEMBL6436264 0.77 MAPT (0.45) POLBGALR2LMNAALDH1A1MAPT
SCHEMBL8438196 0.77 GPR35 (0.41) ALDH1A1MAPTCYP2D6TYMSCYP3A4
SCHEMBL6111459 0.76 CA2 (0.47) POLBGALR2LMNAGRM6GRIA1
SCHEMBL8872813 0.75 GAA (0.47) POLBGALR2LMNAGRIA1GRIA2
SCHEMBL16212173 0.75 EGFR (0.40) POLBALDH1A1MAPTTDP1TYMS
SCHEMBL8872827 0.75 GAA (0.47) LMNAGRIA1GRIA2GRIA3GRIA4
SCHEMBL4705252 0.75 PIK3R1 (0.39) POLBLMNAALDH1A1MAPTHPGD

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
US-7081346-B2 Method of screening binding of a compound to a receptor MARQUETTE UNIVERSITY (US) 2006-07-25 — — US disclosed
US-20030215959-A1 Method of screening binding of a compound to a receptor MARQUETTE UNIVERSITY 2003-11-20 — — US disclosed
EP-0260467-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1993-12-29 — — EP disclosed
US-4812458-A 6,7-disubstituted-2,3-dihydroxyquinoxaline compounds, pharmaceutical compositions thereof, and their use as neuroleptics A/S FERROSAN (DK) 1989-03-14 — — US disclosed
EP-0260467-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-03-23 — — 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-20030215959-A1 Method of screening binding of a compound to a receptor FSHR, GRB7, GPR174 POLB 4185/4885GALR2 378/4885LMNA 4600/4885

“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.

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