SCHEMBL5594965

SCHEMBL5594965

COc1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.68
MEN1 O00255 8/20 0.68
POLB P06746 2/20 0.68
MAPK1 P28482 2/20 0.68
LMNA P02545 2/20 0.68
CXCR1 P25024 1/20 0.67
CXCR2 P25025 1/20 0.67
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
KCNMA1 Q12791 3/20 0.62
MAPT P10636 4/20 0.61
BLM P54132 1/20 0.61
RORC P51449 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.58
TRPV1 Q8NER1 1/20 0.56
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
GAA P10253 2/20 0.55

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 0.90 KMT2A (0.68) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL6820169 0.90 KMT2A (0.68) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL7555978 0.85 KDM4E (0.64) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL7496033 0.81 CXCR1 (0.65) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL5595377 0.81 CXCR1 (0.55) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL3459824 0.81 KMT2A (1.00) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL5594951 0.81 HTT (0.71) KMT2AMEN1MAPK1LMNACXCR1
SCHEMBL5595042 0.80 CXCR2 (1.00) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL7410122 0.80 HTT (0.66) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL12305610 0.79 LMNA (0.72) KMT2AMEN1POLBMAPK1LMNA

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
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN 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
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 3978/4885MEN1 4754/4885POLB 4279/4885

“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.