SCHEMBL7484203

SCHEMBL7484203

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1OCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.59
ATM Q13315 1/20 0.58
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP19A1 P11511 2/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
PPIF P30405 1/20 0.51
MAPT P10636 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NAMPT P43490 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL7489143 0.89 PPIA (0.62) PPIAATMKMT2AMEN1CXCR1
SCHEMBL7549892 0.84 KMT2A (0.57) PPIAKMT2AMEN1CXCR1CXCR2
SCHEMBL7551257 0.82 SGMS2 (0.53) PPIAKMT2AMEN1CXCR1CXCR2
SCHEMBL5594899 0.80 KMT2A (0.63) PPIAKMT2AMEN1CXCR1CXCR2
SCHEMBL7549869 0.79 MEN1 (0.62) PPIAKMT2AMEN1CXCR1CXCR2
SCHEMBL7486202 0.78 CXCR1 (0.57) PPIAKMT2AMEN1CXCR1CXCR2
SCHEMBL6820541 0.78 CXCR1 (0.73) ATMKMT2AMEN1CXCR1CXCR2
SCHEMBL6823571 0.78 CXCR1 (0.73) ATMKMT2AMEN1CXCR1CXCR2
SCHEMBL7488374 0.77 SGMS2 (0.49) PPIAKMT2AMEN1CXCR1CXCR2
SCHEMBL7549656 0.77 KMT2A (0.57) PPIAKMT2AMEN1CXCR1CXCR2

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 PPIA 1831/4885ATM 3914/4885KMT2A 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.