SCHEMBL7555978

SCHEMBL7555978

COc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
KMT2A Q03164 8/20 0.62
MEN1 O00255 5/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 1/20 0.62
PKM P14618 1/20 0.60
HTT P42858 1/20 0.60
RAF1 P04049 1/20 0.59
CXCR1 P25024 1/20 0.57
CXCR2 P25025 1/20 0.57
KCNMA1 Q12791 2/20 0.57
POLB P06746 2/20 0.56
MAPK1 P28482 2/20 0.56
MAPT P10636 1/20 0.56
BLM P54132 1/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL5594965 0.85 KMT2A (0.68) KMT2AMEN1GAAPKMHTT
SCHEMBL12305607 0.85 GAA (0.68) KDM4EKMT2AMEN1L3MBTL1GAA
SCHEMBL25248057 0.85 EPHX1 (0.64) KDM4EKMT2AMEN1L3MBTL1GAA
SCHEMBL5594951 0.84 HTT (0.71) KMT2AMEN1GAAPKMHTT
SCHEMBL12305602 0.83 GAA (0.65) KDM4EKMT2AMEN1L3MBTL1GAA
SCHEMBL11224174 0.81 CXCR2 (0.60) KDM4EKMT2AMEN1L3MBTL1GAA
SCHEMBL5595377 0.79 CXCR1 (0.55) KMT2AMEN1PKMHTTCXCR1
SCHEMBL8713312 0.79 MEN1 (0.81) KDM4EKMT2AMEN1L3MBTL1GAA
SCHEMBL17287914 0.78 CXCR1 (0.70) KMT2AMEN1L3MBTL1GAAPKM
SCHEMBL6820169 0.78 KMT2A (0.68) KMT2AMEN1GAAPKMHTT

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
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
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US 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 KDM4E 3818/4885KMT2A 3978/4885MEN1 4754/4885

“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.