SCHEMBL17283589

SCHEMBL17283589

O=[N+]([O-])c1cccc2cccc(-c3ccc(Br)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ APEX1 P27695 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ S100A4 P26447 2/20 0.42
▸ EIF4E P06730 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39

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
SCHEMBL22945697 0.85 ALDH1A1 (0.67) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL17283633 0.84 TDP1 (0.45) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL483903 0.81 ALDH1A1 (0.71) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4199839 0.80 ALDH1A1 (0.69) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL22945190 0.79 GSTP1 (0.47) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL29626558 0.76 ALDH1A1 (0.61) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL187697 0.76 ALDH1A1 (0.61) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9055141 0.75 ALDH1A1 (0.52) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL22946064 0.73 ALDH1A1 (0.65) TDP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL24809428 0.73 ALDH1A1 (0.56) TDP1ALDH1A1MAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170092869-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-30 — — US disclosed
US-20170092869-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-30 — — US disclosed
WO-2015178585-A1 COMPOUND FOR ELECTRO-ORGANIC DEVICE, ELECTRO-ORGANIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2015-11-26 — — 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 (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-20170092869-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, PIEZO1 TDP1 1653/4885ALDH1A1 561/4885KMT2A 1042/4885

“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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