SCHEMBL9101239

SCHEMBL9101239

CCc1c(C(=O)N(N)C(=O)OC(C)(C)C)ccc2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.33
HTT P42858 2/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BRCA1 P38398 1/20 0.32
LMNA P02545 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL14655908 0.78 AOC3 (0.34) MTNR1AHTTCTNNB1WNT3AMEN1
SCHEMBL668079 0.76 NPC1 (0.36) MTNR1ACTNNB1WNT3AMEN1KMT2A
SCHEMBL19380525 0.75 TSHR (0.42) MTNR1AHTTCTNNB1WNT3AKDM4E
Hydrazine SCHEMBL14688080 0.73 KDM4E (0.43) MTNR1AHTTCTNNB1WNT3AKDM4E
SCHEMBL19380488 0.73 MLYCD (0.39) MTNR1AHTTKDM4EALDH1A1BRCA1
SCHEMBL77894 0.73 KDM4E (0.44) MTNR1AHTTCTNNB1WNT3AKDM4E
SCHEMBL19380526 0.73 KDM4E (0.49) MTNR1AHTTCTNNB1WNT3AMEN1
SCHEMBL5172008 0.72 MTNR1A (0.32) MTNR1ALMNATSHRAOC3
SCHEMBL668910 0.72 MTNR1A (0.40) MTNR1AALDH1A1LMNAHDAC3HDAC4
SCHEMBL668928 0.72 ATM (0.40) MTNR1AHTTCTNNB1WNT3AKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342440-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression System INTREXON CORP (US) 2017-11-30 US disclosed
EP-3219204-A1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM Intrexon Corporation (US) 2017-09-20 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-2292088-B1 Mutant receptors and their use in a nuclear receptor-based inducible gene expression system INTREXON CORP (US) 2013-01-30 EP disclosed
US-20120185954-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression INTREXON CORPORATION (US) 2012-07-19 US 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 (2 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-20170342440-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression System NR2E3, NR1H4, NR5A2 MTNR1A 263/4885HTT 3664/4885CTNNB1 4275/4885
US-20120185954-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression NR2E3, NR5A2, NCOA3 MTNR1A 279/4885HTT 3643/4885CTNNB1 4357/4885

“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.