SCHEMBL16919494

SCHEMBL16919494

O=[N+]([O-])c1ccc2c(sc3ccccc32)c1-c1cccc2c1sc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ S100A4 P26447 2/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ PRKDC P78527 3/20 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
SCHEMBL16218716 0.88 ALDH1A1 (0.46) PARP14ALOX5S100A4PTPRCCSNK2A2
SCHEMBL4554345 0.84 PARP14 (0.49) PARP14ALOX5S100A4PTPRCTDP1
SCHEMBL18350171 0.81 LMNA (0.35) PARP14S100A4PTPRCMAPTPOLB
SCHEMBL16218713 0.80 PARP14 (0.43) PARP14ALOX5S100A4MAPTPOLB
SCHEMBL17985436 0.80 TDP1 (0.53) PARP14TDP1MAPTPOLBCASP6
SCHEMBL16919472 0.79 CYP19A1 (0.43) TDP1MAPTPOLBCASP6ALDH1A1
SCHEMBL4554958 0.79 PARP14 (0.42) PARP14ALOX5MAPTKMT2ACYP19A1
SCHEMBL15582877 0.79 PARP14 (0.42) PARP14ALOX5TDP1MAPTCASP6
SCHEMBL8815910 0.79 PARP14 (0.42) PARP14ALOX5S100A4TDP1ALDH1A1
SCHEMBL23457352 0.77 PARP14 (0.46) PARP14ALOX5S100A4PTPRCTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11309496-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-04-19 — — US disclosed
US-20200335704-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-10-22 — — US disclosed
US-10741771-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-08-11 — — US disclosed
US-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-12-29 — — US disclosed
WO-2015108325-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-07-23 — — 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 (4 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-11309496-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof GPX1, LEF1, OCIAD1 PARP14 4176/4885ALOX5 928/4885S100A4 1193/4885
US-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 PARP14 4172/4885ALOX5 789/4885S100A4 1135/4885
US-10741771-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof GPX1, OR51E2, OCIAD1 PARP14 4172/4885ALOX5 789/4885S100A4 1135/4885
US-20200335704-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF GPX1, LEF1, OCIAD1 PARP14 4176/4885ALOX5 928/4885S100A4 1193/4885

“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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