SCHEMBL5595091

SCHEMBL5595091

COc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.70
CXCR2 P25025 3/20 0.70
KMT2A Q03164 9/20 0.67
MEN1 O00255 8/20 0.67
MAPT P10636 6/20 0.67
HTT P42858 3/20 0.67
MAPK1 P28482 2/20 0.67
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
CSNK2A2 P19784 1/20 0.59
CSNK2B P67870 1/20 0.59
CSNK2A1 P68400 1/20 0.59
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 2/20 0.58
NPC1 O15118 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL6823368 1.00 CXCR1 (0.70) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL7496033 0.94 CXCR1 (0.65) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL6922528 0.91 TRPV1 (0.66) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL6763519 0.91 MEN1 (0.70) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL21750969 0.87 TRPV1 (0.66) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL17287914 0.87 CXCR1 (0.70) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL28342284 0.86 KMT2A (0.87) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL31254103 0.86 KMT2A (0.87) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL4118579 0.85 KMT2A (0.72) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL4356025 0.83 TRPV1 (0.70) KMT2AMEN1MAPTHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US claimed
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
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN 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
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO 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 15/4885KMT2A 3978/4885

“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.