SCHEMBL7488459

SCHEMBL7488459

O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.85
CXCR1 P25024 3/20 0.85
LMNA P02545 4/20 0.62
MAPT P10636 4/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
APP P05067 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
ABCC1 P33527 1/20 0.47

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
SCHEMBL31061375 0.92 CXCR2 (1.00) CXCR2CXCR1LMNAMAPTGAA
SCHEMBL7491596 0.92 CXCR2 (1.00) CXCR2CXCR1LMNAMAPTGAA
SCHEMBL7495742 0.85 CXCR1 (0.73) CXCR2CXCR1LMNAMAPTGAA
SCHEMBL7490526 0.82 CXCR1 (0.72) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL7161441 0.80 P2RX1 (0.60) CXCR2CXCR1LMNAMAPTGAA
SCHEMBL4388940 0.80 CXCR2 (0.78) CXCR2CXCR1LMNAMAPTGAA
SCHEMBL3706755 0.80 CXCR1 (0.72) CXCR2CXCR1LMNAGAAALDH1A1
Urea SCHEMBL7488270 0.79 CXCR1 (0.67) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL5595859 0.79 CA12 (0.57) CXCR2CXCR1LMNAMAPTCA12
SCHEMBL4364384 0.78 CXCR2 (0.74) CXCR2CXCR1LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 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 21/4885LMNA 4366/4885

“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.