SCHEMBL737632

SCHEMBL737632

C#Cc1c(CCC)cc(F)c2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
L3MBTL1 Q9Y468 6/20 0.38
MPI P34949 1/20 0.38
IDO1 P14902 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
TDO2 P48775 1/20 0.36
BLM P54132 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL740529 0.80 KDM4E (0.36) KDM4EL3MBTL1MPIIDO1MEN1
SCHEMBL739954 0.79 L3MBTL1 (0.51) KDM4EL3MBTL1MPIIDO1MEN1
SCHEMBL738606 0.77 KDM4E (0.35) KDM4EL3MBTL1MPIIDO1MEN1
SCHEMBL738607 0.76 KDM4E (0.32) KDM4EL3MBTL1MPIIDO1MEN1
SCHEMBL738961 0.69 HTR1A (0.37) KDM4EL3MBTL1IDO1MEN1ALDH1A1
SCHEMBL30614475 0.66 KDM4E (0.48) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL739868 0.65 KDM4E (0.56) KDM4EL3MBTL1MPIIDO1MEN1
SCHEMBL13462244 0.65 KDM4E (0.56) KDM4EL3MBTL1MPIIDO1MEN1
SCHEMBL1714594 0.65 ALDH1A1 (0.44) KDM4EL3MBTL1IDO1ALDH1A1LMNA
SCHEMBL28892158 0.65 L3MBTL1 (0.55) KDM4EL3MBTL1MPIIDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 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 (1 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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 KDM4E 1868/4885L3MBTL1 1839/4885MPI 4470/4885

“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.