SCHEMBL7160777

SCHEMBL7160777

O=C(O)Cc1ccccc1Nc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 3/20 0.55
CXCL8 P10145 4/20 0.51
CYP2C9 P11712 1/20 0.49
PTGS2 P35354 3/20 0.49
TTR P02766 2/20 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
UGT1A1 P22309 1/20 0.49
PTGS1 P23219 1/20 0.49
CXCR1 P25024 1/20 0.49
ADRA1A P35348 1/20 0.49
AGTR2 P50052 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
NR1H4 Q96RI1 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
SCHEMBL7164948 0.86 CXCL8 (0.59) CAMK2ACXCL8CYP2C9PTGS2TTR
SCHEMBL7166135 0.83 AKR1C3 (0.69) AKR1B10MAPTMEN1KMT2AMAPK1
SCHEMBL7165979 0.81 PKM (0.63) MAPTMEN1KMT2AGAAPKM
SCHEMBL7165877 0.80 CXCR2 (0.55) CAMK2ACXCL8CYP2C9PTGS2TTR
SCHEMBL1437915 0.78 HCAR3 (0.68) AKR1B10CXCR1MAPTMEN1KMT2A
SCHEMBL7167408 0.77 CXCR2 (0.57) CAMK2ACXCL8CYP2C9PTGS2TTR
SCHEMBL7165629 0.76 CXCL8 (0.77) CAMK2ACXCL8CYP2C9PTGS2TTR
SCHEMBL7166179 0.75 MEN1 (0.56) CAMK2ACXCL8CYP2C9PTGS2TTR
SCHEMBL7162207 0.75 PTGS2 (0.56) CXCL8PTGS2MAPTMEN1KMT2A
SCHEMBL7166113 0.75 LMNA (0.56) CXCL8CYP2C9PTGS2MAPTMEN1

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 CAMK2A 2988/4885CXCL8 3032/4885CYP2C9 4756/4885

“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.