SCHEMBL13614817

SCHEMBL13614817

c1ccc2cc3nc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)c(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)nc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.51
ESR2 Q92731 6/20 0.51
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 5/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NQO2 P16083 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
RPS6KB2 Q9UBS0 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4341001 0.91 ALOX5 (0.50) ESR1ESR2ALOX5KDM4ELMNA
SCHEMBL13614908 0.87 ALOX5 (0.47) ESR1ESR2ALOX5KDM4ELMNA
SCHEMBL13614824 0.81 ALOX5 (0.49) ESR1ESR2ALOX5KDM4ENQO2
SCHEMBL17656950 0.80 KDM4E (0.57) KDM4ELMNASMN1; SMN2NQO2L3MBTL1
SCHEMBL14211970 0.79 KDM4E (0.56) KDM4ELMNASMN1; SMN2NQO2L3MBTL1
SCHEMBL13614825 0.78 MAPT (0.47) ESR1ESR2ALOX5KDM4EL3MBTL1
SCHEMBL14211960 0.78 KDM4E (0.59) ESR1ESR2KDM4ELMNASMN1; SMN2
SCHEMBL2804923 0.78 ALOX5 (0.57) ESR1ESR2ALOX5KDM4ENQO2
SCHEMBL7691149 0.78 KDM4E (0.62) ESR1ESR2KDM4ELMNASMN1; SMN2
SCHEMBL14228009 0.77 ESR1 (0.44) ESR1ESR2KDM4ELMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612204-B2 Quinoxaline derivative, and light-emitting element and light-emitting device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-11-03 US disclosed
US-7612204-B2 Quinoxaline derivative, and light-emitting element and light-emitting device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-11-03 US disclosed
WO-2008047589-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT AND LIGHT-EMITTING DEVICE USING QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-24 WO disclosed
US-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-17 US disclosed
US-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-17 US 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-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative NQO1, GLB1, PDXK ESR1 2358/4885ESR2 3228/4885ALOX5 549/4885

“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.