SCHEMBL5594945

SCHEMBL5594945

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MAPT P10636 7/20 0.65
MEN1 O00255 5/20 0.65
TDP1 Q9NUW8 3/20 0.65
HTT P42858 3/20 0.65
NPC1 O15118 2/20 0.65
MAPK1 P28482 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
AURKA O14965 1/20 0.65
PDPK1 O15530 1/20 0.65
JAK2 O60674 1/20 0.65
GMNN O75496 1/20 0.65
ALDH1A1 P00352 1/20 0.65
EGFR P00533 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
LYN P07948 1/20 0.65
CHRM2 P08172 1/20 0.65

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
SCHEMBL6820181 0.92 KMT2A (0.59) KMT2AMAPTMEN1TDP1HTT
SCHEMBL5605030 0.91 CXCR1 (0.62) KMT2AMAPTMEN1TDP1HTT
SCHEMBL3668843 0.89 CXCR1 (0.64) KMT2AMAPTMEN1TDP1HTT
SCHEMBL3706835 0.88 KMT2A (0.74) KMT2AMAPTMEN1TDP1HTT
SCHEMBL5595104 0.87 CXCR1 (0.80) KMT2AMAPTMEN1TDP1HTT
SCHEMBL6825964 0.87 KMT2A (0.56) KMT2AMAPTMEN1TDP1HTT
SCHEMBL3678982 0.83 MEN1 (0.67) KMT2AMAPTMEN1TDP1HTT
SCHEMBL3711422 0.83 CXCR2 (0.67) KMT2AMAPTMEN1TDP1HTT
SCHEMBL4956157 0.82 KMT2A (0.74) KMT2AMAPTMEN1TDP1HTT
SCHEMBL31054245 0.82 MAPT (0.80) KMT2AMAPTMEN1TDP1HTT

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 KMT2A 3978/4885MAPT 698/4885MEN1 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.