SCHEMBL6725516

SCHEMBL6725516

c1ccc(-c2ccc(-c3ccc4nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccccc5)nc4c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 7/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.53
TLR9 Q9NR96 1/20 0.53
PIK3R1 P27986 1/20 0.53
PIK3CA P42336 1/20 0.53
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.44
PSMB5 P28074 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL12207655 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL6725388 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL12207299 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL12207296 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL6725434 0.97 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL6725418 0.97 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL274397 0.97 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL12690714 0.90 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL4750668 0.90 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL6724267 0.90 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1KMT2AATM

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-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 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-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative CRY1, GRK1, CRY2 ALDH1A1 64/4885KDM4E 2006/4885L3MBTL1 826/4885

“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.