SCHEMBL7167408

SCHEMBL7167408

O=C(O)Cc1ccccc1Nc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.57
CXCR1 P25024 2/20 0.57
KCNMA1 Q12791 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 2/20 0.52
DUSP3 P51452 2/20 0.52
PTPN5 P54829 2/20 0.52
KMT2A Q03164 2/20 0.52
PTPN11 Q06124 2/20 0.52
PABPC1 P11940 1/20 0.52
EIF4H Q15056 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
CXCL8 P10145 4/20 0.51
CYP1A2 P05177 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL7165877 0.90 CXCR2 (0.55) CXCR2CXCR1KCNMA1MAPTMEN1
SCHEMBL7165961 0.86 CXCL8 (0.64) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7161755 0.83 MEN1 (0.58) KCNMA1ALDH1A1GAAMAPTHPGD
SCHEMBL7165547 0.81 L3MBTL1 (0.57) CXCR2CXCR1ALDH1A1MAPTHPGD
SCHEMBL7164914 0.81 GAA (0.64) KCNMA1ALDH1A1GAAMAPTMEN1
SCHEMBL7169174 0.81 ALDH1A1 (0.56) CXCR1ALDH1A1GAAMAPTMEN1
SCHEMBL7166087 0.80 CXCL8 (0.51) CXCR1ALDH1A1MAPTCXCL8CYP1A2
SCHEMBL7165423 0.79 CXCL8 (0.68) CXCR2CXCR1CXCL8CYP2C9CAMK2A
SCHEMBL7161781 0.79 CXCL8 (0.77) CXCR2CXCR1KCNMA1GAAMEN1
SCHEMBL7164948 0.78 CXCL8 (0.59) CXCR1ALDH1A1GAAMAPTMEN1

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-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
US-6355680-B1 BLOCKING REACTION OF GLUCOSE AND ALBUMIN EXOCELL, INC. 2002-03-12 US disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 US disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO 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-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR CXCR2 4689/4885CXCR1 4283/4885KCNMA1 4312/4885

“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.