SCHEMBL6825987

SCHEMBL6825987

CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
ALDH1A1 P00352 7/20 0.51
TDP1 Q9NUW8 5/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 3/20 0.40
RECQL P46063 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6823722 1.00 HTT (0.59) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL16098596 0.90 TDP1 (0.60) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL9687587 0.88 HTT (0.46) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL62955 0.85 ALDH1A1 (0.50) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL2076302 0.84 HTT (0.54) HTTALDH1A1TDP1MAPTMEN1
SCHEMBL1157615 0.84 HTT (0.54) HTTALDH1A1TDP1CYP3A4MAPT
SCHEMBL6823725 0.82 HTT (0.45) HTTALDH1A1CYP3A4TSHRGAA
SCHEMBL61078 0.82 ALDH1A1 (0.51) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL18359615 0.81 S1PR4 (0.48) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL9172369 0.80 HTT (0.40) HTTALDH1A1TDP1CYP3A4LMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0912505-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-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-6133319-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-17 US disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 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
US-5776984-A NAPTHYL DERIVATIVES OF BENZENESULFONAMIDES ABBOTT LABORATORIES (US) 1998-07-07 US disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed
US-5681842-A Prostaglandin synthase-2 inhibitors ABBOTT LABORATORIES (US) 1997-10-28 US disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 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 3161/4885ALDH1A1 2239/4885TDP1 3982/4885

“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.