SCHEMBL5595026

SCHEMBL5595026

O=[N+]([O-])c1ccc(Cl)c(Cl)c1O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
GPR35 Q9HC97 4/20 0.57
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
VCAM1 P19320 4/20 0.47
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
ERN1 O75460 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL31170798 1.00 TDP1 (0.67) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL10434405 0.83 GPR35 (0.57) TDP1GPR35TSHRMAPK1ALDH1A1
SCHEMBL9516342 0.83 TDP1 (0.67) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL11868759 0.82 TDP1 (0.53) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL278488 0.80 TDP1 (1.00) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL11079893 0.80 TDP1 (0.52) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL4872019 0.80 GPR35 (0.53) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL38652666 0.80 TDP1 (0.52) TDP1GPR35TSHRMAPK1VCAM1
SCHEMBL27484289 0.80 GPR35 (0.53) TDP1GPR35TSHRMAPK1ALDH1A1
SCHEMBL3083253 0.79 GPR35 (0.71) TDP1GPR35TSHRMAPK1ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6414049-B1 SILICONE, ACYLPHOSPHINE PROMOTER, ACID MIXTURE JOHNSON & JOHNSON VISION CARE, INC. 2002-07-02 US disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
EP-0915651-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
US-6271261-B1 CHEMOKINE MEDIATED DISEASES, BINDING INTERLEUKINS OR BETA-RECEPTORS AND ADMINISTERING TO MAMMALS SMITHKLINE BEECHAM CORPORATION 2001-08-07 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-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
EP-0915651-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-19 EP 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
WO-1997049286-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO 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
US-4614807-A ANTIFERTILITY AGENTS ELI LILLY AND COMPANY (US) 1986-09-30 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 TDP1 3982/4885GPR35 188/4885TSHR 1009/4885

“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.