SCHEMBL5594786

SCHEMBL5594786

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
CXCR1 P25024 3/20 0.67
CXCR2 P25025 3/20 0.67
TDP1 Q9NUW8 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
RORC P51449 1/20 0.61
KCNMA1 Q12791 1/20 0.56
MAPT P10636 6/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 3/20 0.50
TRPV1 Q8NER1 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL11009493 0.84 ALDH1A1 (0.60) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595104 0.84 CXCR1 (0.80) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL17978450 0.83 HTT (0.60) MEN1KMT2ARORCKCNMA1MAPT
SCHEMBL5595038 0.83 MEN1 (0.74) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL6823883 0.82 MEN1 (0.63) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5594957 0.82 MEN1 (0.63) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL3706835 0.82 KMT2A (0.74) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595118 0.82 CXCR2 (0.74) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL6824079 0.81 MEN1 (0.69) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5594986 0.81 MEN1 (0.69) MEN1KMT2ACXCR1CXCR2TDP1

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 MEN1 4754/4885KMT2A 3978/4885CXCR1 21/4885

“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.