SCHEMBL4947524

SCHEMBL4947524

CCC(=O)NCc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)C(C)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 17/20 0.54
NR1H2 P55055 16/20 0.54
RXRA P19793 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
MAPT P10636 1/20 0.53
VHL P40337 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4948223 0.91 NR1H3 (0.56) NR1H3NR1H2RXRAALDH1A1MEN1
SCHEMBL4950025 0.90 NR1H3 (0.52) NR1H3NR1H2RXRAALDH1A1MEN1
SCHEMBL4948855 0.88 NR1H3 (0.53) NR1H3NR1H2RXRAALDH1A1MEN1
SCHEMBL5359466 0.88 NR1H3 (0.52) NR1H3NR1H2RXRAALDH1A1MEN1
SCHEMBL4951992 0.87 NR1H3 (0.59) NR1H3NR1H2RXRAALDH1A1MEN1
SCHEMBL4950621 0.87 NR1H3 (0.69) NR1H3NR1H2RXRAALDH1A1MEN1
SCHEMBL5347649 0.87 NR1H3 (0.52) NR1H3NR1H2RXRAALDH1A1MEN1
SCHEMBL5356171 0.87 NR1H3 (0.53) NR1H3NR1H2RXRAALDH1A1MEN1
SCHEMBL4946854 0.86 NR1H3 (0.59) NR1H3NR1H2RXRAALDH1A1MEN1
Hydrochloric Acid SCHEMBL6437909 0.86 NR1H3 (0.70) NR1H3NR1H2RXRAALDH1A1MEN1

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
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US claimed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA NR1H3 2/4885NR1H2 1/4885RXRA 12/4885

“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.