SCHEMBL574401

SCHEMBL574401

O=[N+]([O-])c1ccccc1-c1cc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.53
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CA2 P00918 1/20 0.44
APP P05067 2/20 0.42
CYP2A6 P11509 1/20 0.42
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT6 P42226 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
SCHEMBL17281060 0.84 MAOB (0.48) ERN1ALDH1A1TDP1MGAMGAA
SCHEMBL25807310 0.84 ERN1 (0.48) ERN1ALDH1A1CA1CA9CA2
SCHEMBL28639409 0.82 ERN1 (0.55) ERN1ALDH1A1CA1CA9CA2
SCHEMBL5180945 0.81 ERN1 (0.48) ERN1ALDH1A1CA1CA9GAA
SCHEMBL6955307 0.81 ERN1 (0.46) ERN1ALDH1A1TDP1GAATP53
SCHEMBL19133572 0.78 APP (0.57) ERN1CA1CA9CA2APP
SCHEMBL2875320 0.78 ERN1 (0.48) ERN1ALDH1A1TDP1CA1CA9
SCHEMBL12288740 0.77 ALDH1A1 (0.59) ALDH1A1TDP1MGAMGAASI
SCHEMBL12854022 0.77 APP (0.55) ERN1CA1CA9CA2APP
SCHEMBL848125 0.75 CYP2A6 (0.50) ERN1ALDH1A1TDP1CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230217818-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THEREOF LG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230217818-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THEREOF LG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-10749118-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-18 US disclosed
US-10749117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
US-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-31 US disclosed
US-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-31 US disclosed
US-20150247863-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS Life Technologies Corporation 2015-09-03 US disclosed
US-20150247863-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS Life Technologies Corporation 2015-09-03 US disclosed
WO-2012016630-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-02-09 WO disclosed
US-20110027800-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings Life Technologies Corporation (US) 2011-02-03 US disclosed
US-20110027800-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings Life Technologies Corporation (US) 2011-02-03 US disclosed
US-7816519-B2 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands Life Technologies Corporation (US) 2010-10-19 US disclosed
US-7816519-B2 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands Life Technologies Corporation (US) 2010-10-19 US disclosed
EP-2045252-A2 Derivatives of 1,2-dihydro-7-hydroxyquinolines containing fused rings Molecular Probes, Inc. (US) 2009-04-08 EP disclosed
US-20070093652-A1 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands INVITROGEN CORPORATION (US) 2007-04-26 US disclosed
US-20070093652-A1 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands INVITROGEN CORPORATION (US) 2007-04-26 US disclosed
US-7169922-B2 Longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond INVITROGEN CORPORATION (US) 2007-01-30 US disclosed
US-7169922-B2 Longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond INVITROGEN CORPORATION (US) 2007-01-30 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 (8 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-20110027800-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings CYP3A7, UGT1A7, UGT2B7 ERN1 4422/4885ALDH1A1 45/4885TDP1 2687/4885
US-20070093652-A1 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands CYP3A4, CYP3A5, UGT1A4 ERN1 4592/4885ALDH1A1 140/4885TDP1 4253/4885
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, CYP2C19, SDHB ERN1 715/4885ALDH1A1 58/4885TDP1 1327/4885
US-20150247863-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS CYP3A7, UGT1A7, UGT2B7 ERN1 4422/4885ALDH1A1 45/4885TDP1 2687/4885
US-20230217818-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THEREOF OCIAD2, OCIAD1, DRD1 ERN1 3224/4885ALDH1A1 1238/4885TDP1 1812/4885
US-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1A1, CRY1, CYP1B1 ERN1 1668/4885ALDH1A1 13/4885TDP1 3358/4885
US-10749118-B2 Heterocyclic compound and organic light-emitting device including the same CYP1A1, CRY1, CYP1B1 ERN1 1668/4885ALDH1A1 13/4885TDP1 3358/4885
US-10749117-B2 Materials for electronic devices EFNA1, CYP2C19, SDHB ERN1 715/4885ALDH1A1 58/4885TDP1 1327/4885

“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.