SCHEMBL4554345

SCHEMBL4554345

O=[N+]([O-])c1ccccc1-c1cccc2c1sc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ MGAM O43451 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ C1R P00736 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ S100A4 P26447 2/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ PRKDC P78527 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ GUSB P08236 1/20 0.40

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
SCHEMBL11933061 0.90 TDP1 (0.53) TDP1ALDH1A1MGAMGAASI
SCHEMBL15139099 0.88 ALDH1A1 (0.44) PARP14TDP1ALDH1A1ALOX5MGAM
SCHEMBL17985436 0.87 TDP1 (0.53) PARP14TDP1ALDH1A1KMT2AMEN1
SCHEMBL23457352 0.86 PARP14 (0.46) PARP14TDP1ALDH1A1ALOX5MGAM
SCHEMBL10043646 0.85 PARP14 (0.42) PARP14TDP1ALDH1A1ALOX5S100A4
SCHEMBL19961730 0.85 ALDH1A1 (0.42) PARP14TDP1ALDH1A1ALOX5MGAM
SCHEMBL4554339 0.85 PARP14 (0.42) PARP14ALDH1A1ALOX5MAPTPRKDC
SCHEMBL14653418 0.85 PARP14 (0.42) PARP14TDP1ALDH1A1ALOX5KMT2A
SCHEMBL8815910 0.85 PARP14 (0.42) PARP14TDP1ALDH1A1ALOX5S100A4
SCHEMBL4554958 0.85 PARP14 (0.42) PARP14ALOX5GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690288-B2 Composition for organic optoelectronic diode, organic optoelectronic diode, and display device SAMSUNG SDI CO., LTD. (KR) 2023-06-27 — — US disclosed
US-11690288-B2 Composition for organic optoelectronic diode, organic optoelectronic diode, and display device SAMSUNG SDI CO., LTD. (KR) 2023-06-27 — — US disclosed
EP-4063466-A1 ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE INCLUDING SAME Samsung SDI Co., Ltd. (KR) 2022-09-28 — — EP disclosed
US-20200136057-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-04-30 — — US disclosed
EP-2940097-B1 ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE INCLUDING SAME CHEIL IND INC (KR) 2019-03-20 — — EP disclosed
US-10043977-B2 Nitrogenated aromatic heterocyclic derivative, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-08-07 — — US disclosed
US-10043977-B2 Nitrogenated aromatic heterocyclic derivative, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-08-07 — — US disclosed
US-10020452-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2018-07-10 — — US disclosed
US-10011608-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-07-03 — — US disclosed
US-10011608-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-07-03 — — US disclosed
US-20140054564-A1 ELECTROLUMINESCENT DEVICE USING ELECTROLUMINESCENT COMPOUND AS LUMINESCENT MATERIAL ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-02-27 — — US disclosed
US-20140054564-A1 ELECTROLUMINESCENT DEVICE USING ELECTROLUMINESCENT COMPOUND AS LUMINESCENT MATERIAL ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-02-27 — — US disclosed
EP-2450975-B1 Compound for organic optoelectronic device and organic light emitting diode including the same CHEIL IND INC (KR) 2014-01-08 — — EP disclosed
WO-2013012296-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-01-24 — — WO disclosed
WO-2012067425-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-24 — — WO disclosed
US-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-05-10 — — US disclosed
US-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-05-10 — — US disclosed
EP-2450975-A2 Compound for organic optoelectronic device and organic light emitting diode including the same Cheil Industries Inc. (KR) 2012-05-09 — — EP disclosed
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-05 — — US disclosed
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-05 — — 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 (7 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-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, OCIAD1, OCIAD2 PARP14 4799/4885TDP1 3970/4885ALDH1A1 14/4885
US-10011608-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof PIEZO1, OR51E2, OCIAD1 PARP14 3993/4885TDP1 1436/4885ALDH1A1 549/4885
US-20200136057-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OR10J3, OCIAD2, OR51E2 PARP14 4805/4885TDP1 3407/4885ALDH1A1 279/4885
US-10020452-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same NOTUM, OR10J3, PER2 PARP14 2978/4885TDP1 2548/4885ALDH1A1 210/4885
US-10043977-B2 Nitrogenated aromatic heterocyclic derivative, and organic electroluminescent element using same NES, NUTF2, ETV6 PARP14 1679/4885TDP1 2458/4885ALDH1A1 2711/4885
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME NOTUM, OR10J3, PER2 PARP14 2978/4885TDP1 2548/4885ALDH1A1 210/4885
US-11690288-B2 Composition for organic optoelectronic diode, organic optoelectronic diode, and display device OR10J3, OCIAD2, OR51E2 PARP14 4805/4885TDP1 3407/4885ALDH1A1 279/4885

“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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