SCHEMBL6109031

SCHEMBL6109031

O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ LMNA P02545 2/20 0.48
▸ GPR35 Q9HC97 2/20 0.44
▸ GALR2 O43603 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GLP1R P43220 1/20 0.44
▸ VCAM1 P19320 2/20 0.43
▸ MAPT P10636 2/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ 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

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) PGK1ALDH1A1LMNAGPR35GALR2
SCHEMBL1291907 0.85 PGK1 (0.61) PGK1ALDH1A1CYP3A4LMNAGALR2
SCHEMBL6108459 0.78 POLB (0.44) ALDH1A1CYP3A4LMNAGPR35GALR2
SCHEMBL6109752 0.78 POLB (0.44) ALDH1A1CYP3A4LMNAGPR35GALR2
SCHEMBL7825439 0.77 PGK1 (0.53) PGK1ALDH1A1CYP3A4LMNAPOLB
SCHEMBL14973435 0.76 PTPN11 (0.57) PGK1ALDH1A1CYP3A4LMNAGPR35
SCHEMBL8551999 0.75 PGK1 (0.45) PGK1ALDH1A1CYP3A4LMNAGALR2
SCHEMBL16082531 0.75 EGFR (0.51) PGK1ALDH1A1CYP3A4LMNAGPR35
SCHEMBL21591903 0.75 PGK1 (0.55) PGK1ALDH1A1CYP3A4LMNAGALR2
SCHEMBL21591867 0.75 PGK1 (0.55) PGK1ALDH1A1CYP3A4LMNAGALR2

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 PGK1 2350/4885ALDH1A1 3903/4885CYP3A4 1303/4885

“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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