SCHEMBL3706598

SCHEMBL3706598

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1cccc2c1OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ CXCR1 P25024 3/20 0.59
▸ CXCR2 P25025 3/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ ALOX5 P09917 1/20 0.50
▸ KCNMA1 Q12791 1/20 0.49
▸ MAPT P10636 8/20 0.46
▸ LMNA P02545 5/20 0.46
▸ HTT P42858 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ SETD7 Q8WTS6 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL6826529 0.91 MEN1 (0.59) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7488205 0.89 KMT2A (0.48) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595104 0.80 CXCR1 (0.80) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL7556527 0.78 CXCR2 (0.58) MEN1KMT2ACXCR1CXCR2MAPT
SCHEMBL3711422 0.76 CXCR2 (0.67) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL3706835 0.75 KMT2A (0.74) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595118 0.75 CXCR2 (0.74) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5595247 0.75 CXCR1 (0.69) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL6824079 0.75 MEN1 (0.69) MEN1KMT2ACXCR1CXCR2TDP1
SCHEMBL5594986 0.75 MEN1 (0.69) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010092440-A1 CXCR2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OR THE PREVENTION OF INSULIN RESISTANCE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2010-08-19 — — WO claimed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 — — EP claimed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 — — US claimed
JP-2000504722-A — — 2000-04-18 — — JP claimed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 — — US claimed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 — — EP claimed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 — — WO claimed
WO-2010092440-A1 CXCR2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OR THE PREVENTION OF INSULIN RESISTANCE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2010-08-19 — — WO disclosed
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 — — EP disclosed
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 — — EP disclosed
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
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 — — CN 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
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
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 — — EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 — — WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 — — 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 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.

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