SCHEMBL10126044

SCHEMBL10126044

CCc1cc2nc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6ccc(-c7nc8cc(CC)c(CC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.45
RAB9A P51151 8/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 5/20 0.45
TP53 P04637 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
POLB P06746 2/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL10125882 0.97 SMN1; SMN2 (0.48) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL10126049 0.90 ESR1 (0.44) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL10125879 0.87 SMN1; SMN2 (0.46) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL10126051 0.87 ESR1 (0.46) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL10125889 0.85 ESR1 (0.45) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL10125891 0.84 KDM4E (0.45) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL10126039 0.82 SMN1; SMN2 (0.51) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL13621033 0.80 SMN1; SMN2 (0.49) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL10126054 0.80 KDM4E (0.40) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL10125862 0.80 SMN1; SMN2 (0.55) NPC1RAB9AKDM4EHPGDSMN1; SMN2

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
US-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 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-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same NDUFA11, NDUFA9, NDUFA12 NPC1 4763/4885RAB9A 1141/4885KDM4E 2216/4885

“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.