SCHEMBL5594774

SCHEMBL5594774

O=C(Nc1cc([N+](=O)[O-])ccc1O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.72
CXCR1 P25024 3/20 0.72
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 3/20 0.60
KCNMA1 Q12791 1/20 0.57
MYC P01106 1/20 0.57
MAX P61244 1/20 0.57
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 4/20 0.56
KDM4E B2RXH2 1/20 0.56
PABPC1 P11940 1/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
EIF4H Q15056 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL7549187 0.90 CXCR2 (0.60) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL3715203 0.90 CXCR1 (0.72) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL6920946 0.90 CXCR1 (0.72) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL5595042 0.84 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL34474786 0.84 KCNMA1 (0.74) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL7551297 0.81 HDAC1 (0.63) KDM4ECA12CA1CA9CA2
SCHEMBL5594965 0.79 KMT2A (0.68) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL6920949 0.78 ALDH1A1 (0.56) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL1024223 0.77 CXCR2 (0.68) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL1024222 0.77 CXCR2 (0.68) CXCR2CXCR1MEN1KMT2AALDH1A1

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 9 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
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
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP 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.