SCHEMBL5595196

SCHEMBL5595196

COc1ccsc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
KMT2A Q03164 9/20 0.54
MEN1 O00255 7/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.54
PKM P14618 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPK1 P28482 3/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.51
BLM P54132 1/20 0.51
KCNMA1 Q12791 3/20 0.49
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.47
RAF1 P04049 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5595377 0.91 CXCR1 (0.55) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL5594951 0.84 HTT (0.71) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL6820169 0.81 KMT2A (0.68) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL3710415 0.81 KMT2A (0.68) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL5595104 0.80 CXCR1 (0.80) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL3706043 0.80 CXCR1 (0.61) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL3678982 0.78 MEN1 (0.67) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL17085327 0.77 HTT (0.71) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL7487840 0.77 CXCR2 (0.69) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL17287914 0.76 CXCR1 (0.70) CXCR1CXCR2KMT2AMEN1MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CXCR1 21/4885CXCR2 15/4885KMT2A 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.