SCHEMBL5064091

SCHEMBL5064091

CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(Cl)c2)C(C)(C)C)cc1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.84
CYP3A4 P08684 1/20 0.84
HPGD P15428 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70

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
SCHEMBL18091875 0.95 ABCB1 (0.76) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL8772417 0.93 HPGD (0.78) ABCB1CYP3A4HPGDSMN1; SMN2
Tebufenozide SCHEMBL64845 0.92 ABCB1 (1.00) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL1045829 0.87 ABCB1 (0.90) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL5056953 0.86 ABCB1 (0.76) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL9714459 0.85 HPGD (0.86) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL9714453 0.85 HPGD (0.86) ABCB1CYP3A4HPGDSMN1; SMN2
Tebufenozide SCHEMBL2126005 0.84 ABCB1 (0.84) ABCB1CYP3A4HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8174716 0.84 HPGD (0.84) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL10719977 0.84 HPGD (0.89) ABCB1CYP3A4HPGDSMN1; SMN2

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 ABCB1 1365/4885CYP3A4 1320/4885HPGD 570/4885
US-20130040389-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 ABCB1 1365/4885CYP3A4 1320/4885HPGD 570/4885
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, NR5A1, NR5A2 ABCB1 1365/4885CYP3A4 1320/4885HPGD 570/4885

“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.