SCHEMBL5058536

SCHEMBL5058536

Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc(CC#N)cc2)C(C)(C)C)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.74
▸ CYP3A4 P08684 1/20 0.74
▸ HPGD P15428 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57

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
Tebufenozide SCHEMBL64845 0.85 ABCB1 (1.00) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL5057049 0.83 ABCB1 (0.78) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL8173476 0.83 ABCB1 (0.82) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL17600807 0.82 ABCB1 (0.57) ABCB1CYP3A4HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8178350 0.82 ABCB1 (0.98) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL10718679 0.81 ABCB1 (0.74) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL10721627 0.80 ABCB1 (0.78) ABCB1CYP3A4
SCHEMBL1045829 0.80 ABCB1 (0.90) ABCB1CYP3A4HPGDSMN1; SMN2
SCHEMBL10721812 0.80 ABCB1 (0.72) ABCB1CYP3A4
SCHEMBL8175233 0.79 ABCB1 (0.82) ABCB1CYP3A4

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.

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