SCHEMBL668875

SCHEMBL668875

CCC(=NNC(=O)c1ccc2c(c1C)OCCO2)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL668801 0.87 ALDH1A1 (0.37) ALDH1A1MAPTPOLBGAAKDM4E
SCHEMBL12841416 0.87 ALDH1A1 (0.37) ALDH1A1MAPTPOLBGAAKDM4E
SCHEMBL668435 0.76 KDM4E (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17424932 0.74 BAZ2B (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL667849 0.74 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL669425 0.72 SMN1; SMN2 (0.38) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL27797528 0.70 HSD17B10 (0.37) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL1535973 0.70 NPC1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL10354039 0.70 NPC1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL7475478 0.70 HPGD (0.39) ALDH1A1MAPTKDM4EHPGDSMN1; 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 EP disclosed
US-9359289-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-06-07 US disclosed
US-9359289-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-06-07 US disclosed
US-9255273-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-02-09 US disclosed
US-9169210-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-10-27 US disclosed
US-9169210-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-10-27 US disclosed
US-20150240244-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2015-08-27 US disclosed
US-20150240244-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2015-08-27 US disclosed
US-9102648-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-08-11 US disclosed
US-9102648-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-08-11 US disclosed
US-20130035487-A1 Bioavailable Diacylhydrazine Ligands for Modulations the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2013-02-07 US disclosed
US-20120046322-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2012-02-23 US disclosed
US-20120046322-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2012-02-23 US disclosed
US-20120046322-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2012-02-23 US disclosed
US-7563928-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2009-07-21 US disclosed
US-7563928-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2009-07-21 US disclosed
US-7456315-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-11-25 US disclosed
US-7456315-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-11-25 US disclosed
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. 2008-03-13 US disclosed
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. 2008-03-13 US 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-20120046322-A1 Bioavailable Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, NR5A2 ALDH1A1 3129/4885MAPT 4883/4885POLB 3463/4885
US-20080064741-A1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX NR2E3, NR5A1, NR5A2 ALDH1A1 3129/4885MAPT 4883/4885POLB 3463/4885
US-20130035487-A1 Bioavailable Diacylhydrazine Ligands for Modulations the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, NR5A1, ESRRB ALDH1A1 3010/4885MAPT 4883/4885POLB 3366/4885

“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.