SCHEMBL5595039

SCHEMBL5595039

O=C(Nc1ccc(C(=O)NCc2ccccc2)cc1O)Nc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.59
CXCR2 P25025 3/20 0.56
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
PPARG P37231 2/20 0.54
HDAC6 Q9UBN7 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
LMNA P02545 2/20 0.50
CA2 P00918 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
EGFR P00533 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7545396 0.84 MEN1 (0.62) ALDH1A1HPGDPPARGHDAC6MEN1
SCHEMBL5595225 0.82 MEN1 (0.60) CXCR1CXCR2ALDH1A1HDAC6MEN1
SCHEMBL27953196 0.79 CFD (0.67) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5595168 0.78 CXCR1 (0.69) CXCR1CXCR2ALDH1A1HDAC6MEN1
Aniline SCHEMBL7901181 0.77 CXCR1 (0.63) CXCR1CXCR2HDAC6MEN1KMT2A
SCHEMBL5594648 0.76 CXCR1 (0.66) CXCR1CXCR2ALDH1A1HPGDHDAC6
SCHEMBL7489633 0.76 CXCR1 (0.66) CXCR1CXCR2HDAC6MEN1KMT2A
SCHEMBL11094833 0.76 ERCC1 (0.71) ALDH1A1HPGDHDAC6HDAC2HDAC8
SCHEMBL7897789 0.75 CXCR1 (0.64) CXCR1CXCR2ALDH1A1HDAC6MEN1
SCHEMBL5595211 0.75 CXCR1 (0.64) CXCR1CXCR2HDAC6MEN1KMT2A

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 15/4885ALDH1A1 2239/4885

“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.