SCHEMBL6540525

SCHEMBL6540525

CN(C)CCOc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.50
FABP4 P15090 1/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
XBP1 P17861 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
DNMT1 P26358 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
GAA P10253 1/20 0.46
HSPD1 P10809 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN5 P54829 1/20 0.46
HSPE1 P61604 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
UTS2R Q9UKP6 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
SCHEMBL6542694 0.93 ALDH1A1 (0.51) FABP4ALDH1A1POLBLMNAMAPT
SCHEMBL6542544 0.84 UTS2R (0.42) VCAM1FABP4ALDH1A1POLBLMNA
SCHEMBL6541903 0.84 LMNA (0.51) FABP4ALDH1A1POLBLMNAMAPT
SCHEMBL6542083 0.83 UTS2R (0.53) FABP4ALDH1A1POLBLMNAMAPT
SCHEMBL6542791 0.83 LMNA (0.63) FABP4ALDH1A1POLBLMNAMAPT
SCHEMBL6542543 0.83 LMNA (0.56) FABP4ALDH1A1POLBLMNAMAPT
SCHEMBL6542669 0.83 UTS2R (0.53) FABP4ALDH1A1POLBLMNAMAPT
SCHEMBL6542032 0.82 HTR6 (0.61) FABP4ALDH1A1POLBLMNAMAPT
SCHEMBL6542701 0.81 UTS2R (0.49) ALDH1A1LMNAMAPTKMT2AUTS2R
SCHEMBL6542118 0.80 UTS2R (0.57) FABP4ALDH1A1POLBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248607-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-06 EP claimed
US-20030100580-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-05-29 US claimed
EP-1248607-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-16 EP claimed
WO-2001045694-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO claimed
EP-1248607-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-06 EP disclosed
US-20030100580-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-05-29 US disclosed
EP-1248607-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-16 EP disclosed
WO-2001045694-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 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-20030100580-A1 Urotensin-II receptor antagonists UTS2R, TMPRSS4, PLAUR VCAM1 3020/4885FABP4 2008/4885ALDH1A1 4452/4885

“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.