Sugi Predict

Sugi Predict / Compounds / SCHEMBL13784133

SCHEMBL13784133

SCHEMBL13784133

Cc1cc(C)c(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)cc3)nc3ccccc32)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.51
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ PDE10A Q9Y233 1/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GRIA1 P42261 1/20 0.40
▸ CACNG8 Q8WXS5 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
SCHEMBL13299512 0.91 ESR1 (0.54) ESR1ESR2KDM4EALDH1A1HSD17B10
SCHEMBL16948811 0.87 TP53 (0.47) ESR1ESR2KDM4EALDH1A1HSD17B10
SCHEMBL13784134 0.86 ESR1 (0.53) TDP1ESR1ESR2KDM4EL3MBTL1
SCHEMBL13299511 0.85 ESR1 (0.54) ESR1ESR2KDM4EALDH1A1HSD17B10
SCHEMBL13784102 0.84 ESR1 (0.49) TDP1ESR1ESR2KDM4EL3MBTL1
SCHEMBL23336948 0.83 KDM4E (0.58) ESR1ESR2KDM4EALDH1A1HSD17B10
SCHEMBL23337361 0.83 ESR2 (0.59) ESR1ESR2KDM4EALDH1A1PDE10A
SCHEMBL13784101 0.82 ESR1 (0.52) TDP1ESR1ESR2KDM4EL3MBTL1
SCHEMBL13784135 0.82 TDP1 (0.62) TDP1ESR1ESR2KDM4EL3MBTL1
SCHEMBL13784048 0.81 ESR1 (0.49) TDP1ESR1ESR2KDM4EL3MBTL1

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 TDP1 1566/4885ESR1 1434/4885ESR2 2914/4885

“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.