SCHEMBL5594936

SCHEMBL5594936

O=C(Nc1ccc(-c2cccc(C(=O)O)c2O)cc1)Nc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 3/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 1/20 0.59
HNF4A P41235 1/20 0.55
GRIK1 P39086 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
FABP4 P15090 1/20 0.46
DHODH Q02127 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 1/20 0.45
KDM4E B2RXH2 2/20 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
SCHEMBL5594932 0.87 KMT2A (0.61) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL5594974 0.83 KMT2A (0.61) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL5595355 0.82 MEN1 (0.65) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL5595207 0.81 HTT (0.52) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL6820254 0.81 HTT (0.52) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL5595859 0.79 CA12 (0.57) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL7896679 0.78 RAB9A (0.59) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL7928902 0.77 CXCR2 (0.61) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL8746726 0.77 MEN1 (1.00) RAB9ANPC1KMT2AHTTMEN1
SCHEMBL7897527 0.77 CXCR1 (0.61) RAB9ANPC1KMT2AHTTMEN1

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 14 patents. 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
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP 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-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP 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 RAB9A 1746/4885NPC1 1517/4885KMT2A 3978/4885

“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.