SCHEMBL5594978

SCHEMBL5594978

COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
NPC1 O15118 7/20 0.61
MAPT P10636 6/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
POLB P06746 1/20 0.55
GRIK1 P39086 1/20 0.54
PKM P14618 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CXCR1 P25024 1/20 0.53
CXCR2 P25025 1/20 0.53
KDM4E B2RXH2 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
TP53 P04637 3/20 0.51
ESR2 Q92731 1/20 0.51

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
SCHEMBL5595012 0.84 MAPT (0.57) MAPTHTTMEN1KMT2APOLB
SCHEMBL7488888 0.81 CXCR2 (0.68) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL5594862 0.79 CXCR2 (0.62) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL11092496 0.78 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL4744609 0.78 NPC1 (0.76) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL3704687 0.78 CXCR1 (0.64) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL4112669 0.77 NPC1 (0.81) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL14550519 0.75 RAB9A (0.69) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL1897292 0.75 RAB9A (0.85) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL1463448 0.75 MAPT (0.71) RAB9ASMN1; SMN2NPC1MAPTHTT

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
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US claimed
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 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-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
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 1746/4885SMN1; SMN2 4507/4885NPC1 1517/4885

“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.