SCHEMBL13727232

SCHEMBL13727232

Cc1ccc(-c2cc3nc(-c4ccc(-c5cccnc5)cc4)c(-c4ccc(-c5cccnc5)cc4)nc3cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2A6 P11509 2/20 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
SCHEMBL13726470 0.97 TDP1 (0.55) TDP1ALDH1A1KDM4EL3MBTL1TP53
SCHEMBL13726707 0.90 DHODH (0.43) TDP1ALDH1A1KDM4EL3MBTL1TP53
SCHEMBL13726683 0.89 CYP11B1 (0.51) ALDH1A1KDM4EL3MBTL1TP53SMN1; SMN2
SCHEMBL13726649 0.89 CYP11B1 (0.51) ALDH1A1KDM4EL3MBTL1TP53SMN1; SMN2
SCHEMBL13726814 0.89 CYP11B1 (0.51) ALDH1A1KDM4EL3MBTL1TP53SMN1; SMN2
SCHEMBL13727554 0.89 CYP11B1 (0.51) ALDH1A1KDM4EL3MBTL1TP53SMN1; SMN2
SCHEMBL13727824 0.87 ALDH1A1 (0.48) TDP1ALDH1A1KDM4EL3MBTL1CYP3A4
SCHEMBL13727548 0.86 TDP1 (0.69) TDP1ALDH1A1KDM4EL3MBTL1TP53
SCHEMBL9974949 0.86 CYP2A6 (0.56) ALDH1A1TP53SMN1; SMN2NFKB1NFKB2
SCHEMBL13750524 0.85 KDR (0.44) ALDH1A1KDM4EL3MBTL1TP53SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586740-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-11-19 US disclosed
US-20130049577-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2013-02-28 US disclosed
US-20130049577-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2013-02-28 US disclosed
US-20090203704-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-08-13 US disclosed
US-20090203704-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-08-13 US disclosed
EP-2065378-A1 Quinoxaline derivate, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative Semiconductor Energy Laboratory Co, Ltd. (JP) 2009-06-03 EP 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-20090203704-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative PDXK, NQO1, PPOX TDP1 3022/4885ALDH1A1 1105/4885KDM4E 1083/4885

“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.