SCHEMBL5595115

SCHEMBL5595115

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1COS

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
CXCR2 P25025 4/20 0.63
CXCR1 P25024 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
MAPT P10636 4/20 0.55
KCNMA1 Q12791 1/20 0.53
LMNA P02545 3/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
RORC P51449 2/20 0.45
PPIA P62937 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL27558243 0.86 CXCR2 (0.61) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL7487951 0.86 CXCR1 (0.63) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL6825999 0.86 CXCR2 (0.64) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL5594986 0.85 MEN1 (0.69) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL6824079 0.85 MEN1 (0.69) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL5595110 0.85 KMT2A (0.60) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL7485664 0.82 CXCR1 (0.67) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL7488285 0.81 CXCR1 (0.66) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL5595104 0.81 CXCR1 (0.80) MEN1KMT2ACXCR2CXCR1TDP1
SCHEMBL7488086 0.80 CXCR1 (0.63) MEN1KMT2ACXCR2CXCR1TDP1

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 14 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-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
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
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 3978/4885CXCR2 15/4885

“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.