SCHEMBL16785774

SCHEMBL16785774

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc43)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 6/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ HPGD P15428 5/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NTSR1 P30989 1/20 0.35

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
SCHEMBL14748549 0.99 L3MBTL1 (0.42) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL14748519 0.95 L3MBTL1 (0.40) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL14748579 0.95 L3MBTL1 (0.40) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL15248432 0.95 L3MBTL1 (0.47) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL15248360 0.95 L3MBTL1 (0.50) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL14748542 0.95 L3MBTL1 (0.50) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL17879014 0.94 KDM4E (0.42) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL17904184 0.94 KDM4E (0.42) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL17879002 0.94 KDM4E (0.42) L3MBTL1KDM4EATMMEN1KMT2A
SCHEMBL17879039 0.94 KDM4E (0.42) L3MBTL1KDM4EATMMEN1KMT2A

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-20170117485-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-27 — — US disclosed
US-20170117485-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-27 — — US disclosed
US-20150159084-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MAT (KR) 2015-06-11 — — US disclosed
US-20150159084-A1 NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MAT (KR) 2015-06-11 — — 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-20170117485-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SOD1, MT-ND4, GPX4 L3MBTL1 1230/4885KDM4E 3181/4885ATM 3845/4885

“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.

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