SCHEMBL4400878

SCHEMBL4400878

c1ccc(-n2c3ccccc3c3cc(N(c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)c4)c4cccc5ccccc45)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DHFR P00374 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
PER2 O15055 1/20 0.32
MAPT P10636 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
BRCA1 P38398 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL4398134 0.97 KDM4E (0.47) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL10087130 0.97 KDM4E (0.50) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL260981 0.97 KDM4E (0.50) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL29371762 0.97 KDM4E (0.50) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL12242937 0.96 KDM4E (0.49) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL12242940 0.95 KDM4E (0.50) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL1980540 0.94 KDM4E (0.46) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL12559394 0.94 KDM4E (0.46) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL18980971 0.94 KDM4E (0.46) KDM4EATML3MBTL1DHFRALDH1A1
SCHEMBL4400875 0.93 KDM4E (0.40) KDM4EATML3MBTL1DHFRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8704242-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-04-22 US disclosed
US-8704242-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-04-22 US disclosed
US-20120181523-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-19 US disclosed
US-8178885-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178885-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-20100308319-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-12-09 US disclosed
US-20100308319-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-12-09 US disclosed
US-7795449-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-14 US disclosed
US-7795449-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-14 US disclosed
US-20080312454-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312454-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-18 US disclosed
US-7442803-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-10-28 US disclosed
US-7442803-B2 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-10-28 US disclosed
US-20070096639-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-05-03 US disclosed
US-20070096639-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-05-03 US disclosed
WO-2007046486-A1 AROMATIC AMINE COMPOUND, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING AROMATIC AMINE COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-04-26 WO 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 (2 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-20080312454-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound TYR, HEATR1, HSF1 KDM4E 1642/4885ATM 295/4885L3MBTL1 951/4885
US-20070096639-A1 Aromatic amine compound, and light emitting element, light emitting device, and electronic device using aromatic amine compound TYR, HEATR1, HSF1 KDM4E 1642/4885ATM 295/4885L3MBTL1 951/4885

“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.