Sugi Predict

Sugi Predict / Compounds / SCHEMBL13784178

SCHEMBL13784178

SCHEMBL13784178

Cc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6ccc(-c7nc8ccc(C)cc8n7-c7ccccc7)cc6)cc5)cc4)cc3)n(-c3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ CACNG8 Q8WXS5 1/20 0.43
▸ CACNG2 Q9Y698 1/20 0.43
▸ GSR P00390 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13784064 0.99 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1TDP1ESR1
SCHEMBL13784177 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1TDP1ESR1
SCHEMBL13784100 0.89 TDP1 (0.59) ALDH1A1KDM4EL3MBTL1TDP1ESR1
SCHEMBL13784063 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1TDP1ESR1
SCHEMBL1104842 0.87 ESR1 (0.55) ALDH1A1KDM4EL3MBTL1ESR1ESR2
SCHEMBL15975530 0.86 ESR1 (0.61) ALDH1A1KDM4EL3MBTL1TDP1ESR1
SCHEMBL4359026 0.86 ESR1 (0.61) ALDH1A1KDM4EL3MBTL1TDP1ESR1
SCHEMBL13784204 0.86 ESR1 (0.61) ALDH1A1KDM4EL3MBTL1TDP1ESR1
SCHEMBL13784101 0.86 ESR1 (0.52) ALDH1A1KDM4EL3MBTL1TDP1ESR1
SCHEMBL13784135 0.85 TDP1 (0.62) ALDH1A1KDM4EL3MBTL1TDP1ESR1

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-8815412-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic appliance using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-26 — — US disclosed
US-8815412-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic appliance using the quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-08-26 — — US disclosed
US-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-23 — — US disclosed
US-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-23 — — 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-20090184633-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Appliance Using the Quinoxaline Derivative H1-0, NQO2, GDI1 ALDH1A1 499/4885KDM4E 443/4885L3MBTL1 686/4885

“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.