SCHEMBL5595010

SCHEMBL5595010

O=C(Nc1cc(F)ccc1O)Nc1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.62
CXCR1 P25024 6/20 0.60
CXCR2 P25025 6/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL6824241 1.00 HTT (0.62) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL5594971 0.88 CXCR1 (0.73) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL6823752 0.84 CXCR1 (0.63) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL6924667 0.82 CXCR1 (0.73) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL5594844 0.82 CXCR1 (0.73) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL5595116 0.81 MEN1 (0.75) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL7491295 0.81 MEN1 (0.75) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL13235126 0.80 HTT (0.81) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL7490014 0.79 MEN1 (0.71) HTTCXCR1CXCR2MEN1KMT2A
SCHEMBL5595145 0.78 CXCR2 (0.80) HTTCXCR1CXCR2MEN1KMT2A

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 15 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
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN 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 HTT 3161/4885CXCR1 21/4885CXCR2 15/4885

“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.