SCHEMBL5594982

SCHEMBL5594982

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.79
CXCR1 P25024 3/20 0.79
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
MAPT P10636 4/20 0.65
MAPK1 P28482 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
MYOC Q99972 1/20 0.65
TDP1 Q9NUW8 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
RAF1 P04049 1/20 0.59
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
LMNA P02545 4/20 0.56
POLB P06746 1/20 0.56
FFAR1 O14842 1/20 0.55

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 0.89 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL5595180 0.89 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL23322895 0.88 CXCR1 (0.61) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL28501095 0.87 KMT2A (0.64) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL5594999 0.86 CXCR2 (0.85) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL5595009 0.86 CXCR1 (0.84) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL11027238 0.86 MEN1 (0.88) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL3708973 0.86 CXCR1 (0.67) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL27587718 0.85 CXCR1 (0.71) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL17287914 0.85 CXCR1 (0.70) CXCR2CXCR1MEN1KMT2AMAPT

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 14 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
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
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
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP 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 CXCR2 15/4885CXCR1 21/4885MEN1 4754/4885

“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.