SCHEMBL10126049

SCHEMBL10126049

CCCc1cc2nc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6ccc(-c7nc8cc(CCC)c(CCC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 6/20 0.42
RAB9A P51151 6/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
POLB P06746 1/20 0.42
SENP8 Q96LD8 1/20 0.42
CETP P11597 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 5/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 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
SCHEMBL10125879 0.97 SMN1; SMN2 (0.46) ESR1ESR2NPC1SMN1; SMN2KDM4E
SCHEMBL10126051 0.93 ESR1 (0.46) ESR1ESR2NPC1SMN1; SMN2KDM4E
SCHEMBL10125889 0.90 ESR1 (0.45) ESR1ESR2NPC1SMN1; SMN2KDM4E
SCHEMBL10126044 0.90 NPC1 (0.45) ESR1ESR2NPC1SMN1; SMN2KDM4E
SCHEMBL10125882 0.87 SMN1; SMN2 (0.48) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL10125891 0.81 KDM4E (0.45) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL13621036 0.81 SMN1; SMN2 (0.47) ESR1ESR2NPC1SMN1; SMN2KDM4E
SCHEMBL10126054 0.80 KDM4E (0.40) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL10126039 0.80 SMN1; SMN2 (0.51) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL10126053 0.79 NPC1 (0.46) ESR1ESR2NPC1SMN1; SMN2KDM4E

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 2 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-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 ESR1 696/4885ESR2 1796/4885NPC1 4763/4885

“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.