SCHEMBL2019199

SCHEMBL2019199

Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CYP2A6 P11509 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR1A P08908 1/20 0.38
NCF1 P14598 1/20 0.38

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
SCHEMBL29476073 0.97 TSPO (0.41) TDP1GSK3AGSK3BCYP2A6POLB
SCHEMBL490271 0.97 TSPO (0.41) TDP1GSK3AGSK3BCYP2A6POLB
SCHEMBL15739360 0.89 TDP1 (0.42) TDP1GSK3AGSK3BCYP2A6POLB
SCHEMBL27930778 0.89 KIF11 (0.37) TDP1GSK3AGSK3BPOLBALDH1A1
SCHEMBL13731976 0.89 CYP2A6 (0.42) TDP1GSK3AGSK3BCYP2A6POLB
SCHEMBL26529649 0.87 POLB (0.38) TDP1GSK3BCYP2A6POLBALDH1A1
SCHEMBL30421282 0.87 TDP1 (0.41) TDP1GSK3AGSK3BCYP2A6POLB
SCHEMBL29291486 0.87 GSR (0.41) TDP1CYP2A6ALDH1A1HPGDCYP1A2
SCHEMBL12476086 0.87 TDP1 (0.41) TDP1GSK3AGSK3BCYP2A6POLB
SCHEMBL18928048 0.86 TSPO (0.36) TDP1GSK3AGSK3BCYP2A6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169607-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-06-02 US disclosed
US-20220169607-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-06-02 US disclosed
WO-2020205765-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-10-08 WO disclosed
WO-2020205765-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-10-08 WO disclosed
WO-2012148127-A2 COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2012-11-01 WO disclosed
US-8202633-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2012-06-19 US disclosed
US-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SK MATERIALS JNC CO., LTD. (KR) 2011-09-08 US disclosed
US-7964293-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2011-06-21 US disclosed
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SK MATERIALS JNC CO., LTD. (KR) 2009-05-28 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 (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-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLC25A11, ELAVL1, SLC26A3 TDP1 2452/4885GSK3A 4845/4885GSK3B 4850/4885
US-20220169607-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS PCNA, PPOX, PARP1 TDP1 1465/4885GSK3A 2478/4885GSK3B 2363/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 TDP1 2452/4885GSK3A 4845/4885GSK3B 4850/4885

“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.