SCHEMBL5594951

SCHEMBL5594951

COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.71
PKM P14618 1/20 0.71
KCNMA1 Q12791 2/20 0.66
KMT2A Q03164 7/20 0.65
MEN1 O00255 4/20 0.64
CXCR1 P25024 2/20 0.64
CXCR2 P25025 2/20 0.64
MAPT P10636 2/20 0.62
ALDH1A1 P00352 4/20 0.62
GLA P06280 1/20 0.62
EPHX1 P07099 1/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPK1 P28482 1/20 0.61
RAB9A P51151 1/20 0.61
RAF1 P04049 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
LMNA P02545 1/20 0.59

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
SCHEMBL3710415 0.91 KMT2A (0.68) HTTPKMKCNMA1KMT2AMEN1
SCHEMBL6820169 0.91 KMT2A (0.68) HTTPKMKCNMA1KMT2AMEN1
SCHEMBL5595104 0.87 CXCR1 (0.80) HTTKCNMA1KMT2AMEN1CXCR1
SCHEMBL3678982 0.85 MEN1 (0.67) HTTPKMKCNMA1KMT2AMEN1
SCHEMBL5595196 0.84 CXCR1 (0.55) HTTPKMKCNMA1KMT2AMEN1
SCHEMBL12305616 0.84 HTT (0.67) HTTPKMKCNMA1KMT2AMEN1
SCHEMBL3462263 0.84 KMT2A (0.81) HTTPKMKCNMA1KMT2AMEN1
SCHEMBL7555978 0.84 KDM4E (0.64) HTTPKMKCNMA1KMT2AMEN1
SCHEMBL17287914 0.83 CXCR1 (0.70) HTTPKMKMT2AMEN1CXCR1
SCHEMBL7410122 0.83 HTT (0.66) HTTPKMKCNMA1KMT2AMEN1

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 11 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-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
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP 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 HTT 3161/4885PKM 2587/4885KCNMA1 4242/4885

“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.