SCHEMBL5595104

SCHEMBL5595104

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 3/20 0.80
▸ CXCR2 P25025 3/20 0.80
▸ KMT2A Q03164 8/20 0.76
▸ MEN1 O00255 7/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ HDAC6 Q9UBN7 1/20 0.76
▸ KCNMA1 Q12791 1/20 0.66
▸ GPR35 Q9HC97 1/20 0.55
▸ MAPT P10636 7/20 0.54
▸ HTT P42858 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ DDX3X O00571 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CTDSP1 Q9GZU7 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
SCHEMBL5595009 0.92 CXCR1 (0.84) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595106 0.89 KMT2A (0.69) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595180 0.89 CXCR2 (1.00) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL31222305 0.89 CXCR2 (1.00) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595118 0.88 CXCR2 (0.74) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL3706835 0.88 KMT2A (0.74) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL6824074 0.87 CXCR1 (0.76) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5594951 0.87 HTT (0.71) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL3668843 0.87 CXCR1 (0.64) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5594962 0.87 MEN1 (0.72) CXCR1CXCR2KMT2AMEN1TDP1

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.

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