SCHEMBL737796

SCHEMBL737796

CC#Cc1ccc(F)c2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
MPI P34949 1/20 0.53
SLC40A1 Q9NP59 2/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTR5A P47898 1/20 0.38
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
IDO1 P14902 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

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
SCHEMBL737644 0.80 KDM4E (0.50) KDM4EL3MBTL1MPISLC40A1NPC1
SCHEMBL739369 0.80 KDM4E (0.46) KDM4EL3MBTL1MPISLC40A1NPC1
SCHEMBL20554409 0.79 L3MBTL1 (0.56) KDM4EL3MBTL1MPISLC40A1NPC1
SCHEMBL14735813 0.79 KDM4E (0.56) KDM4EL3MBTL1MPISLC40A1NPC1
SCHEMBL739868 0.79 KDM4E (0.56) KDM4EL3MBTL1MPISLC40A1NPC1
SCHEMBL29826020 0.79 L3MBTL1 (0.56) KDM4EL3MBTL1MPISLC40A1NPC1
SCHEMBL19990071 0.76 KDM4E (0.70) KDM4EL3MBTL1MPISLC40A1NPC1
SCHEMBL12599361 0.75 MEN1 (0.47) KDM4EL3MBTL1SLC40A1NPC1HSP90AA1
SCHEMBL739711 0.74 KDM4E (0.43) KDM4EL3MBTL1MPISLC40A1HTR5A
SCHEMBL12369354 0.73 PARP14 (0.32) L3MBTL1NPC1HSP90AA1MAPTCCR1

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.