SCHEMBL23457352

SCHEMBL23457352

O=[N+]([O-])c1cccc(-c2cccc3c2sc2ccccc23)c1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.46
▸ ALOX5 P09917 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SLC9A1 P19634 1/20 0.38
▸ PRKDC P78527 3/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ S100A4 P26447 2/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ CASP6 P55212 1/20 0.35

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
SCHEMBL4554345 0.86 PARP14 (0.49) PARP14ALOX5TDP1ALDH1A1SLC9A1
SCHEMBL17985436 0.80 TDP1 (0.53) PARP14TDP1ALDH1A1SLC9A1PARP1
SCHEMBL16919494 0.77 PARP14 (0.43) PARP14ALOX5TDP1ALDH1A1PRKDC
SCHEMBL11933061 0.77 TDP1 (0.53) TDP1ALDH1A1PARP1S100A4PTPRC
SCHEMBL11895561 0.76 ALOX5 (0.51) PARP14ALOX5SLC9A1PRKDCPIK3CD
SCHEMBL8815910 0.75 PARP14 (0.42) PARP14ALOX5TDP1ALDH1A1SLC9A1
SCHEMBL15318845 0.75 POLB (0.47) PARP14ALOX5TDP1ALDH1A1BRD4
SCHEMBL4554339 0.75 PARP14 (0.42) PARP14ALOX5ALDH1A1PRKDCMAPT
SCHEMBL14653418 0.75 PARP14 (0.42) PARP14ALOX5TDP1ALDH1A1SLC9A1
SCHEMBL4554958 0.75 PARP14 (0.42) PARP14ALOX5PRKDCPIK3CDPIK3CB

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-11787789-B2 Compound for an organic electric element, an organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-17 — — US disclosed
US-11787789-B2 Compound for an organic electric element, an organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-17 — — US disclosed
US-20210171510-A1 COMPOUND FOR AN ORGANIC ELECTRIC ELEMENT, AN ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-06-10 — — 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 (2 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-11787789-B2 Compound for an organic electric element, an organic electric element using the same, and an electronic device thereof PIEZO1, ORAI2, OCIAD1 PARP14 3321/4885ALOX5 1089/4885TDP1 2119/4885
US-20210171510-A1 COMPOUND FOR AN ORGANIC ELECTRIC ELEMENT, AN ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OCIAD1 PARP14 3321/4885ALOX5 1089/4885TDP1 2119/4885

“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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