SCHEMBL5056937

SCHEMBL5056937

CCc1ccc(C(=O)NN(C(=O)c2cc(OC)ccc2OCC(F)(F)F)C(C)(C)C)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 1/20 0.45
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5209743 0.79 ABCB1 (0.57) CYP2C9MEN1KMT2AHPGDCYP3A4
SCHEMBL5058463 0.79 ABCB1 (0.49) HPGDSMN1; SMN2
SCHEMBL5211336 0.77 ABCB1 (0.49) HPGDSMN1; SMN2
SCHEMBL5062407 0.76 ABCB1 (0.53) HPGDCYP3A4SMN1; SMN2
SCHEMBL5053794 0.75 HPGD (0.43) ALDH1A1MEN1KMT2AHPGDCYP3A4
SCHEMBL5056941 0.73 HPGD (0.56) CYP2C9HPGDCYP3A4POLBSMN1; SMN2
SCHEMBL5064387 0.73 HPGD (0.63) HPGDCYP3A4POLBSMN1; SMN2
SCHEMBL668612 0.72 ABCB1 (0.71) HPGDCYP3A4SMN1; SMN2
SCHEMBL10139352 0.72 HPGD (0.54) HPGDCYP3A4SMN1; SMN2
SCHEMBL5053859 0.71 ABCB1 (0.52) KDM4EHPGDATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040389-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex Intrexon Coporation (US) 2013-02-14 US claimed
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. 2008-03-13 US claimed
EP-1601642-A4 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2007-04-11 EP claimed
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex RHEOGENE, INC. 2006-01-26 US claimed
EP-1601642-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-12-07 EP claimed
WO-2004078924-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. (US) 2004-09-16 WO claimed
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed
EP-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 EP disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP 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 (3 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-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX NR2E3, NR5A1, NR5A2 CYP1A2 482/4885CYP2C9 2770/4885ALDH1A1 3129/4885
US-20130040389-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 CYP1A2 482/4885CYP2C9 2770/4885ALDH1A1 3129/4885
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, NR5A1, NR5A2 CYP1A2 482/4885CYP2C9 2770/4885ALDH1A1 3129/4885

“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.