SCHEMBL31837

SCHEMBL31837

O=[N+]([O-])c1ccccc1-c1ccc2sc3ccccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 3/20 0.51
ADORA1 P30542 1/20 0.44
LMNA P02545 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
GPR3 P46089 1/20 0.41
ALOX5 P09917 1/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC9A1 P19634 1/20 0.39
ERN1 O75460 1/20 0.38
KMT2A Q03164 2/20 0.38
GUSB P08236 1/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 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
SCHEMBL16999820 0.95 ALDH1A1 (0.56) ALDH1A1TDP1ADORA1LMNAMGAM
SCHEMBL16231222 0.91 ALDH1A1 (0.51) ALDH1A1TDP1ADORA1LMNAMGAM
SCHEMBL17071058 0.91 ALDH1A1 (0.45) ALDH1A1TDP1ADORA1LMNAMGAM
SCHEMBL15088873 0.87 ALDH1A1 (0.44) ALDH1A1TDP1ADORA1LMNAGAA
SCHEMBL21328049 0.85 S100A4 (0.40) ALDH1A1TDP1ADORA1LMNAGPR3
SCHEMBL19961750 0.85 ALDH1A1 (0.42) ALDH1A1TDP1ADORA1LMNAMGAM
SCHEMBL18666359 0.84 ALDH1A1 (0.44) ALDH1A1TDP1ADORA1LMNAMGAM
SCHEMBL17548769 0.83 ALDH1A1 (0.43) ALDH1A1TDP1ADORA1LMNAMGAM
SCHEMBL17548825 0.83 ALDH1A1 (0.43) ALDH1A1TDP1ADORA1LMNAMGAM
SCHEMBL18416509 0.83 ALDH1A1 (0.45) ALDH1A1TDP1ADORA1LMNAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210104679-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2021-04-08 US disclosed
US-20180201621-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-07-19 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-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-24 US disclosed
US-9911926-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-06 US disclosed
US-20180029983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-02-01 US disclosed
US-9716236-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-07-25 US disclosed
US-9716236-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-07-25 US disclosed
US-20170166581-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-15 US disclosed
US-8889271-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same DUKSAN HIGH METAL CO., LTD. (KR) 2014-11-18 US disclosed
US-8889271-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same DUKSAN HIGH METAL CO., LTD. (KR) 2014-11-18 US disclosed
US-20140332793-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-13 US disclosed
US-20140034916-A1 CONDENSED-CYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DIODES COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-02-06 US disclosed
US-20140034916-A1 CONDENSED-CYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DIODES COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-02-06 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
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-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 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 (9 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-20180029983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RCOR1, LEF1 ALDH1A1 193/4885TDP1 2147/4885ADORA1 819/4885
US-10011608-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof PIEZO1, OR51E2, OCIAD1 ALDH1A1 549/4885TDP1 1436/4885ADORA1 3915/4885
US-20210104679-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, OR10J3, SLCO2B1 ALDH1A1 931/4885TDP1 4071/4885ADORA1 3644/4885
US-20180201621-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 ALDH1A1 514/4885TDP1 2057/4885ADORA1 3913/4885
US-10020452-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same NOTUM, OR10J3, PER2 ALDH1A1 210/4885TDP1 2548/4885ADORA1 3753/4885
US-20170166581-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, OR51E2, OCIAD1 ALDH1A1 549/4885TDP1 1436/4885ADORA1 3915/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 ALDH1A1 1226/4885TDP1 3627/4885ADORA1 2896/4885
US-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 ALDH1A1 486/4885TDP1 1648/4885ADORA1 3717/4885
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME NOTUM, OR10J3, PER2 ALDH1A1 210/4885TDP1 2548/4885ADORA1 3753/4885

“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.