SCHEMBL7491978

SCHEMBL7491978

CC(=O)Oc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
CXCR1 P25024 3/20 0.65
CXCR2 P25025 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
MAPT P10636 3/20 0.56
KCNMA1 Q12791 2/20 0.54
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
CYP19A1 P11511 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PPIA P62937 1/20 0.47
GAA P10253 1/20 0.47
RORC P51449 1/20 0.47
PKM P14618 1/20 0.47
NR3C1 P04150 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
SCHEMBL3710415 0.88 KMT2A (0.68) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL6820169 0.88 KMT2A (0.68) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL5594899 0.85 KMT2A (0.63) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL6823610 0.85 KMT2A (0.63) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL3708973 0.83 CXCR1 (0.67) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL5594957 0.82 MEN1 (0.63) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL6823883 0.82 MEN1 (0.63) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL5595104 0.82 CXCR1 (0.80) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL7487840 0.81 CXCR2 (0.69) KMT2AMEN1CXCR1CXCR2TDP1
SCHEMBL7549869 0.81 MEN1 (0.62) KMT2AMEN1CXCR1CXCR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 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 4754/4885CXCR1 21/4885

“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.