SCHEMBL7166113

SCHEMBL7166113

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
CXCL8 P10145 3/20 0.56
ALDH1A1 P00352 1/20 0.53
TRPV1 Q8NER1 1/20 0.48
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
RECQL P46063 1/20 0.47
CYP2C9 P11712 1/20 0.47
PTGS2 P35354 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
ALDH3A1 P30838 1/20 0.46

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
SCHEMBL7166179 0.85 MEN1 (0.56) LMNAMEN1KMT2AMAPTHTT
SCHEMBL7162207 0.85 PTGS2 (0.56) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7166333 0.83 CXCL8 (0.66) MEN1KMT2ACXCL8CYP2C9PTGS2
SCHEMBL7162224 0.80 CXCL8 (0.61) CXCL8CYP2C9PTGS2
SCHEMBL7165547 0.79 L3MBTL1 (0.57) MEN1KMT2AMAPTCXCL8ALDH1A1
SCHEMBL7165961 0.79 CXCL8 (0.64) LMNAMEN1KMT2AMAPTHTT
SCHEMBL7164948 0.79 CXCL8 (0.59) MEN1KMT2ASMN1; SMN2MAPTCXCL8
SCHEMBL7169174 0.79 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL7161053 0.78 CXCL8 (0.62) CXCL8CYP2C9PTGS2
SCHEMBL7166087 0.78 CXCL8 (0.51) SMN1; SMN2MAPTCXCL8ALDH1A1CTSV

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 LMNA 647/4885MEN1 3564/4885KMT2A 4772/4885

“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.