SCHEMBL740449

SCHEMBL740449

Cc1c(F)[c]nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 8/20 0.37
MAPT P10636 6/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
HCRTR1 O43613 1/20 0.37
THRB P10828 1/20 0.37
GPR3 P46089 2/20 0.36
NPC1 O15118 2/20 0.35
CYP1A2 P05177 4/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1986163 0.79 GPR3 (0.39) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL740448 0.76 GPR3 (0.36) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL736210 0.74 TLR8 (0.45) KDM4EHTTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL558393 0.73 POLB (0.41) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL737979 0.73 KDM4E (0.56) KMT2AKDM4EHTTALDH1A1MAPT
SCHEMBL4754130 0.72 ALDH1A1 (0.40) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL31678400 0.66 GPR3 (0.58) KMT2AKDM4EHTTALDH1A1MAPT
SCHEMBL50940 0.66 GPR3 (0.58) KMT2AKDM4EHTTALDH1A1MAPT
SCHEMBL737978 0.66 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL24030 0.66 GPR3 (0.46) KMT2AKDM4EHTTALDH1A1MAPT

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 claimed
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 claimed
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 claimed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP claimed

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 KMT2A 2906/4885MEN1 3642/4885KDM4E 1868/4885

“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.