SCHEMBL6135828

SCHEMBL6135828

CN(C)CCOc1cccc(C(N)=O)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTR1B P28222 1/20 0.43
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL30806950 0.88 ALDH1A1 (0.51) RXFP1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4212045 0.82 LMNA (0.63) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL6135831 0.79 HTR1B (0.49) RXFP1KDM4EALDH1A1SMN1; SMN2HTR1B
SCHEMBL477870 0.76 SLC6A9 (0.52) RXFP1KDM4EALDH1A1HTTKMT2A
SCHEMBL16095411 0.75 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL7630835 0.75 KDM4E (0.55) RXFP1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL22411018 0.75 HRH1 (0.53) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL38660498 0.75 MAPK1 (0.47) KDM4EALDH1A1HTTMEN1NR1I2
SCHEMBL30807071 0.73 RXFP1 (0.53) RXFP1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL27722750 0.73 PARP1 (0.49) KDM4EALDH1A1SMN1; SMN2MAPTMAP4K4

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-1385495-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-21 EP claimed
US-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
EP-1385495-A2 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
WO-2002089740-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed
EP-1385495-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-21 EP disclosed
US-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1385495-A2 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP disclosed
WO-2002089740-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 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-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide UTS2R, SPINT2, PRSS2 RXFP1 671/4885KDM4E 2852/4885ALDH1A1 3864/4885

“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.