SCHEMBL5347609

SCHEMBL5347609

NC(=O)Cc1ccc(OCCN(Cc2ccccc2)C[C@H](O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 0.64
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1I2 O75469 1/20 0.41
MAPT P10636 1/20 0.41
RXRA P19793 1/20 0.41
VHL P40337 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MAOB P27338 1/20 0.41
SLC1A5 Q15758 1/20 0.41
PNMT P11086 1/20 0.40

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
SCHEMBL5347613 1.00 NR1H3 (0.64) NR1H3ALDH1A1KDM4ETRPM8MEN1
SCHEMBL5352402 0.88 NR1H3 (0.59) NR1H3KDM4EMEN1KMT2A
SCHEMBL5364718 0.88 NR1H3 (0.59) NR1H3KDM4EMEN1KMT2A
SCHEMBL8938121 0.83 NR1H3 (0.51) NR1H3ALDH1A1KDM4ETRPM8MEN1
SCHEMBL4950622 0.82 NR1H3 (0.53) NR1H3
SCHEMBL8938115 0.81 NR1H3 (0.51) NR1H3ALDH1A1KDM4ETRPM8MEN1
SCHEMBL6515008 0.78 NR1H3 (1.00) NR1H3ALDH1A1KDM4ETRPM8MEN1
SCHEMBL9192393 0.78 ALOX15 (0.58) NR1H3ALDH1A1KDM4EPNMT
SCHEMBL9192385 0.78 ALOX15 (0.58) NR1H3ALDH1A1KDM4EPNMT
SCHEMBL9835890 0.77 ALDH1A1 (0.56) NR1H3ALDH1A1KDM4EMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US claimed
JP-2006514925-A 2006-05-18 JP claimed
EP-1497270-A4 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP claimed
US-20050107444-A1 Amide compounds and methods of using the same GLAXOSMITHKLINE LLC 2005-05-19 US claimed
EP-1497270-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SmithKline Beecham Corporation (US) 2005-01-19 EP claimed
WO-2004043939-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US disclosed
EP-1497270-A4 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20050107444-A1 Amide compounds and methods of using the same GLAXOSMITHKLINE LLC 2005-05-19 US disclosed
EP-1497270-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SmithKline Beecham Corporation (US) 2005-01-19 EP disclosed
WO-2004043939-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 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-20050107444-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA NR1H3 2/4885ALDH1A1 1665/4885KDM4E 1177/4885

“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.