SCHEMBL5594941

SCHEMBL5594941

O=C(Nc1ccccc1Br)Nc1cccc(-c2cccc(C(=O)O)c2)c1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
CXCR1 P25024 8/20 0.49
CXCR2 P25025 8/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
GRIK1 P39086 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
KMO O15229 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
SCHEMBL6820254 0.87 HTT (0.52) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL5595207 0.87 HTT (0.52) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL7896676 0.80 CXCR1 (0.57) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL7254811 0.79 RAB9A (0.71) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL18867881 0.78 RXRA (0.53) NR1H4KMO
SCHEMBL11125480 0.78 KMO (0.61) NR1H4KMO
SCHEMBL5530492 0.77 KMO (0.49) NR1H4KMO
SCHEMBL5594826 0.76 CXCR2 (0.57) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL5595432 0.76 RET (0.56) KMT2AHTTMEN1CXCR2
SCHEMBL5594974 0.76 KMT2A (0.61) NPC1RAB9AKMT2AHTTLMNA

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 13 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
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 NPC1 1517/4885RAB9A 1746/4885KMT2A 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.