SCHEMBL7488285

SCHEMBL7488285

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.66
CXCR2 P25025 3/20 0.66
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
HDAC6 Q9UBN7 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
KCNMA1 Q12791 1/20 0.53
MAPT P10636 7/20 0.53
LMNA P02545 4/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.48
PKM P14618 1/20 0.48
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CDK2 P24941 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL7485664 0.89 CXCR1 (0.67) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL5594986 0.85 MEN1 (0.69) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL6824079 0.85 MEN1 (0.69) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL7488086 0.84 CXCR1 (0.63) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL7859962 0.83 CXCR1 (0.65) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL7487951 0.82 CXCR1 (0.63) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL5595115 0.81 MEN1 (0.63) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL5595104 0.81 CXCR1 (0.80) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL7854227 0.81 CXCR1 (0.68) CXCR1CXCR2MEN1KMT2AHDAC6
SCHEMBL5595180 0.80 CXCR2 (1.00) CXCR1CXCR2MEN1KMT2AHDAC6

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 CXCR1 21/4885CXCR2 15/4885MEN1 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.