SCHEMBL10126085

SCHEMBL10126085

c1ccc2c(-c3cc4nc(-c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)c(-c5ccc(-c6ccc(-c7nc8ccccc8o7)cc6)cc5)nc4cc3-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 7/20 0.49
RAB9A P51151 7/20 0.49
KDM4E B2RXH2 6/20 0.49
HSD17B10 Q99714 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 5/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
USP2 O75604 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10125953 0.98 ALDH1A1 (0.47) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL10315412 0.90 NPC1 (0.43) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL10125895 0.90 NPC1 (0.51) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL10315180 0.89 ALDH1A1 (0.42) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL10125981 0.88 ALDH1A1 (0.49) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL19369682 0.87 NPC1 (0.51) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL10125793 0.85 ALDH1A1 (0.47) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL10125959 0.85 NPC1 (0.51) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL10126089 0.85 NPC1 (0.51) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL28681367 0.84 NPC1 (0.59) NPC1ALDH1A1HPGDRAB9AKDM4E

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 4763/4885ALDH1A1 345/4885HPGD 463/4885

“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.