SCHEMBL10126053

SCHEMBL10126053

CC(C)c1cc2nc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6ccc(-c7nc8cc(C(C)C)c(C(C)C)cc8o7)cc6)cc5)cc4)cc3)oc2cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
RAB9A P51151 7/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
KMT2A Q03164 4/20 0.46
TP53 P04637 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.43
HPGD P15428 4/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
POLB P06746 1/20 0.43
SENP8 Q96LD8 1/20 0.43
ATM Q13315 1/20 0.42
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
UTRN P46939 3/20 0.40

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
SCHEMBL10125883 0.97 NPC1 (0.48) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10126054 0.87 KDM4E (0.40) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10125887 0.85 SMN1; SMN2 (0.44) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10126039 0.82 SMN1; SMN2 (0.51) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL13621038 0.80 NPC1 (0.49) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10125862 0.80 SMN1; SMN2 (0.55) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10126049 0.79 ESR1 (0.44) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10125891 0.79 KDM4E (0.45) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10126044 0.78 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10126058 0.78 ESR1 (0.45) NPC1RAB9AKDM4EALDH1A1HSD17B10

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.