SCHEMBL5058440

SCHEMBL5058440

CCc1ccc(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ABCB1 P08183 2/20 0.57
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL8167113 0.99 HPGD (0.62) HPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL9825684 0.91 SMN1; SMN2 (0.64) HPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL10718593 0.89 ABCB1 (0.51) HPGDSMN1; SMN2ABCB1
SCHEMBL9714639 0.88 POLB (0.63) ABCB1CYP3A4
SCHEMBL9714340 0.88 ABCB1 (0.49) HPGDSMN1; SMN2ABCB1
SCHEMBL9714483 0.87 ABCB1 (0.54) HPGDABCB1
Hydrochloric Acid SCHEMBL8166856 0.86 ABCB1 (0.53) SMN1; SMN2ABCB1
SCHEMBL5064076 0.86 ABCB1 (0.62) HPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL10721984 0.85 HPGD (0.59) HPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL5058454 0.85 HPGD (0.75) HPGDSMN1; SMN2ABCB1CYP3A4

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 13 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
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 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 HPGD 570/4885SMN1; SMN2 4577/4885ABCB1 1365/4885
US-20130040389-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 HPGD 570/4885SMN1; SMN2 4577/4885ABCB1 1365/4885
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, NR5A1, NR5A2 HPGD 570/4885SMN1; SMN2 4577/4885ABCB1 1365/4885

“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.