SCHEMBL7165877

SCHEMBL7165877

O=C(O)Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.55
CXCR1 P25024 5/20 0.55
CXCL8 P10145 4/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP1A2 P05177 1/20 0.51
TTR P02766 2/20 0.51
KCNMA1 Q12791 1/20 0.51
CYP2C9 P11712 1/20 0.49
CAMK2A Q9UQM7 1/20 0.49
AKR1B10 O60218 1/20 0.49
UGT1A9 O60656 1/20 0.49
TRPA1 O75762 1/20 0.49
ABCB11 O95342 1/20 0.49
MT-CO2 P00403 1/20 0.49
ALB P02768 1/20 0.49
UGT1A6 P19224 1/20 0.49

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
SCHEMBL7167408 0.90 CXCR2 (0.57) CXCR2CXCR1CXCL8MEN1KMT2A
SCHEMBL7165961 0.84 CXCL8 (0.64) CXCL8MEN1KMT2AMAPTCYP1A2
SCHEMBL7164914 0.83 GAA (0.64) MEN1KMT2AMAPTCYP1A2KCNMA1
SCHEMBL7165547 0.81 L3MBTL1 (0.57) CXCR2CXCR1CXCL8MEN1KMT2A
SCHEMBL7161755 0.81 MEN1 (0.58) MEN1KMT2AMAPTCYP1A2KCNMA1
SCHEMBL7169174 0.81 ALDH1A1 (0.56) CXCR1CXCL8MEN1KMT2AMAPT
SCHEMBL7166087 0.80 CXCL8 (0.51) CXCR1CXCL8MAPTCYP1A2TTR
SCHEMBL7160777 0.80 CAMK2A (0.55) CXCR1CXCL8MEN1KMT2AMAPT
SCHEMBL7165423 0.79 CXCL8 (0.68) CXCR2CXCR1CXCL8TTRCYP2C9
SCHEMBL6037267 0.79 CYP1A2 (0.73) CXCR2CXCR1MAPTTDP1CYP1A2

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 4283/4885CXCL8 3032/4885

“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.