SCHEMBL7166179

SCHEMBL7166179

O=C(O)Cc1ccccc1Nc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
CXCL8 P10145 4/20 0.56
CYP2C9 P11712 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
PTGS2 P35354 3/20 0.53
TTR P02766 2/20 0.53
AKR1B10 O60218 1/20 0.53
UGT1A9 O60656 1/20 0.53
TRPA1 O75762 1/20 0.53
ABCB11 O95342 1/20 0.53
MT-CO2 P00403 1/20 0.53
ALB P02768 1/20 0.53
UGT1A6 P19224 1/20 0.53
UGT1A1 P22309 1/20 0.53
PTGS1 P23219 1/20 0.53
CXCR1 P25024 1/20 0.53

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
SCHEMBL7166113 0.85 LMNA (0.56) MEN1KMT2ACXCL8CYP2C9MAPT
SCHEMBL7162207 0.85 PTGS2 (0.56) MEN1KMT2ACXCL8MAPTLMNA
SCHEMBL6240532 0.83 CXCL8 (0.66) MEN1KMT2ACXCL8CYP2C9MAPT
SCHEMBL16489006 0.81 SLC25A1 (0.65) MEN1KMT2ACYP2C9MAPTHTT
SCHEMBL7165547 0.79 L3MBTL1 (0.57) MEN1KMT2ACXCL8CYP2C9MAPT
SCHEMBL7164948 0.79 CXCL8 (0.59) MEN1KMT2ACXCL8CYP2C9MAPT
SCHEMBL7169174 0.79 ALDH1A1 (0.56) MEN1KMT2ACXCL8MAPTHTT
SCHEMBL7166087 0.78 CXCL8 (0.51) CXCL8CYP2C9MAPTPTGS2TTR
SCHEMBL7165558 0.78 CAMK2A (0.63) CXCL8CYP2C9PTGS2TTRAKR1B10
SCHEMBL7162224 0.77 CXCL8 (0.61) CXCL8CYP2C9PTGS2TTRAKR1B10

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 MEN1 3564/4885KMT2A 4772/4885CXCL8 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.