SCHEMBL7549877

SCHEMBL7549877

O=C(Nc1ccc(OCCO)cc1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.65
CXCR2 P25025 3/20 0.65
MAPT P10636 9/20 0.53
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
TDP1 Q9NUW8 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPK1 P28482 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MYOC Q99972 1/20 0.52
POLB P06746 2/20 0.51
HTT P42858 3/20 0.50
LMNA P02545 1/20 0.50
RAF1 P04049 1/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49

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
SCHEMBL5595009 0.84 CXCR1 (0.84) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL27587718 0.84 CXCR1 (0.71) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL17287914 0.83 CXCR1 (0.70) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL7549869 0.82 MEN1 (0.62) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL5594982 0.81 CXCR2 (0.79) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL5595104 0.80 CXCR1 (0.80) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL5594999 0.80 CXCR2 (0.85) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL5595137 0.79 CXCR1 (0.76) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL6824074 0.79 CXCR1 (0.76) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL31222305 0.79 CXCR2 (1.00) CXCR1CXCR2MAPTMEN1KMT2A

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 CXCR1 21/4885CXCR2 15/4885MAPT 698/4885

“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.