SCHEMBL133749

SCHEMBL133749

O=C(c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
DHODH Q02127 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
ACMSD Q8TDX5 1/20 0.43
GP6 Q9HCN6 1/20 0.43
MGLL Q99685 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GRM5 P41594 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL12551824 1.00 KMO (0.53) KMODHODHHDAC8ACMSDGP6
SCHEMBL12551833 0.91 KMO (0.53) KMODHODHHDAC8ACMSDGP6
SCHEMBL12551667 0.91 KMO (0.53) KMODHODHHDAC8ACMSDGP6
SCHEMBL10039117 0.91 KMO (0.53) KMODHODHHDAC8ACMSDGP6
SCHEMBL133475 0.91 EGFR (0.46) KMODHODHMKNK1MKNK2ATM
SCHEMBL12551682 0.88 KMO (0.53) KMODHODHHDAC8ACMSDERCC5
SCHEMBL21397903 0.88 RXRA (0.45) KMODHODHGRM5L3MBTL1
SCHEMBL132971 0.86 L3MBTL1 (0.48) ATML3MBTL1
SCHEMBL134260 0.86 L3MBTL1 (0.52) L3MBTL1
SCHEMBL19762079 0.84 GP6 (0.55) KMOGP6L3MBTL1

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3005433-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2023-02-22 EP disclosed
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
EP-2984152-B2 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2022-01-05 EP disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
EP-3117470-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 US disclosed
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed
US-10636990-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2020-04-28 US disclosed
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
US-20120037896-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2012-02-16 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2011141109-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-11-17 WO disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
WO-2010108579-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2010-09-30 WO disclosed
WO-2010102706-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-09-16 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 (3 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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 KMO 2354/4885DHODH 3617/4885HDAC8 4714/4885
US-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 KMO 3204/4885DHODH 3251/4885HDAC8 3290/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 KMO 3204/4885DHODH 3251/4885HDAC8 3290/4885

“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.