SCHEMBL5064138

SCHEMBL5064138

COc1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.57
HTT P42858 1/20 0.54
POLB P06746 1/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL9714125 0.88 POLB (0.59) ABCB1HTTPOLBCYP3A4CYP2C9
SCHEMBL9714656 0.88 HTT (0.67) ABCB1HTTPOLBCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8173165 0.87 POLB (0.57) ABCB1HTTPOLBCYP3A4CYP2C9
SCHEMBL10719281 0.86 ABCB1 (0.76) ABCB1HTTPOLBCYP3A4CYP2C9
SCHEMBL9714476 0.85 ABCB1 (0.61) ABCB1HTTPOLBCYP3A4CYP2C9
SCHEMBL5053784 0.84 POLB (0.55) ABCB1POLBCYP3A4CYP2C9HPGD
Hydrochloric Acid SCHEMBL8179823 0.84 ABCB1 (0.60) ABCB1HTTPOLBCYP3A4CYP2C9
SCHEMBL9714469 0.84 POLB (0.55) ABCB1POLBCYP3A4CYP2C9HPGD
SCHEMBL9714298 0.84 POLB (0.75) ABCB1POLBCYP3A4CYP2C9
SCHEMBL9496366 0.84 HTT (0.56) ABCB1HTTPOLBCYP3A4CYP2C9

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 1365/4885HTT 4667/4885POLB 3463/4885
US-20130040389-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 ABCB1 1365/4885HTT 4667/4885POLB 3463/4885
US-20060020146-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, NR5A1, NR5A2 ABCB1 1365/4885HTT 4667/4885POLB 3463/4885

“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.