SCHEMBL739954

SCHEMBL739954

CCCc1cc(F)c2cccnc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.51
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
IDO1 P14902 1/20 0.51
RECQL P46063 1/20 0.51
TDO2 P48775 1/20 0.51
BLM P54132 1/20 0.51
CASP6 P55212 1/20 0.51
MPI P34949 1/20 0.47
CTSB P07858 1/20 0.46
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL14378811 0.84 KDM4E (0.51) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL737632 0.79 KDM4E (0.38) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL10616578 0.79 FYN (0.47) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2015833 0.78 KDM4E (0.53) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL737088 0.78 KDM4E (0.50) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL16207365 0.77 KDM4E (0.62) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6051201 0.77 KDM4E (0.46) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL22446563 0.76 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL740529 0.76 KDM4E (0.36) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6051319 0.73 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1MEN1KMT2A

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 L3MBTL1 1839/4885KDM4E 1868/4885ALDH1A1 754/4885

“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.