SCHEMBL5604606

SCHEMBL5604606

O=C(Nc1cccc(C(=O)O)c1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.77
CXCR2 P25025 3/20 0.77
MAPT P10636 5/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
PKM P14618 1/20 0.62
PAX8 Q06710 1/20 0.62
GAA P10253 1/20 0.62
KMT2A Q03164 5/20 0.60
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
DDX3X O00571 2/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
LMNA P02545 2/20 0.56

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
SCHEMBL31222305 0.87 CXCR2 (1.00) CXCR1CXCR2MAPTGAAKMT2A
SCHEMBL5595180 0.87 CXCR2 (1.00) CXCR1CXCR2MAPTGAAKMT2A
SCHEMBL6297231 0.84 MAPT (0.84) MAPTNPC1RAB9APKMPAX8
SCHEMBL18013179 0.84 TRPV1 (0.76) CXCR1CXCR2MAPTNPC1KMT2A
SCHEMBL5595006 0.84 CXCR1 (0.74) CXCR1CXCR2MAPTNPC1GAA
SCHEMBL5595490 0.83 CXCR1 (0.63) CXCR1CXCR2MAPTNPC1RAB9A
SCHEMBL5595104 0.83 CXCR1 (0.80) CXCR1CXCR2MAPTNPC1RAB9A
SCHEMBL5595009 0.82 CXCR1 (0.84) CXCR1CXCR2MAPTNPC1RAB9A
SCHEMBL7824188 0.81 KMT2A (0.79) MAPTNPC1RAB9APKMPAX8
SCHEMBL6823368 0.81 CXCR1 (0.70) CXCR1CXCR2MAPTNPC1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN CXCR1 21/4885CXCR2 15/4885MAPT 698/4885

“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.