SCHEMBL7549869

SCHEMBL7549869

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1OCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
CXCR1 P25024 3/20 0.62
CXCR2 P25025 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
HDAC6 Q9UBN7 1/20 0.62
MAPT P10636 6/20 0.54
TSHR P16473 1/20 0.54
PPIA P62937 1/20 0.54
KCNMA1 Q12791 2/20 0.52
CYP19A1 P11511 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL5594899 0.87 KMT2A (0.63) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL6820169 0.83 KMT2A (0.68) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL3710415 0.83 KMT2A (0.68) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7549892 0.83 KMT2A (0.57) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7489143 0.82 PPIA (0.62) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7549877 0.82 CXCR1 (0.65) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL3708973 0.81 CXCR1 (0.67) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7491978 0.81 KMT2A (0.65) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL15314623 0.81 MAPT (0.48) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7486202 0.81 CXCR1 (0.57) MEN1KMT2ACXCR1CXCR2TDP1

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 4 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-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 MEN1 4754/4885KMT2A 3978/4885CXCR1 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.