SCHEMBL16919574

SCHEMBL16919574

C[S+]([O-])c1ccccc1-c1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ S100A4 P26447 2/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL26502971 0.83 S100A4 (0.55) TDP1ALDH1A1S100A4PTPRCHSD17B10
SCHEMBL3758839 0.81 ALDH1A1 (0.57) TDP1ALDH1A1S100A4PTPRCHSD17B10
SCHEMBL20150198 0.79 HSD17B10 (0.52) TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL6870799 0.79 HSD17B10 (0.52) TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL16919569 0.77 AAK1 (0.43) TDP1ALDH1A1HSD17B10TSHRMAPT
SCHEMBL19974127 0.76 TXNRD1 (0.46) TDP1ALDH1A1S100A4PTPRCHSD17B10
SCHEMBL16919566 0.75 KMT2A (0.44) TDP1ALDH1A1S100A4PTPRCHSD17B10
SCHEMBL26107330 0.75 ALDH1A1 (0.69) TDP1ALDH1A1S100A4PTPRCHSD17B10
SCHEMBL10435062 0.75 TSHR (0.52) TDP1ALDH1A1S100A4PTPRCHSD17B10
SCHEMBL21155893 0.75 MGAM (0.41) TDP1ALDH1A1HSD17B10SMN1; SMN2MGAM

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-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
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 (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-11309496-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof GPX1, LEF1, OCIAD1 TDP1 966/4885ALDH1A1 372/4885S100A4 1193/4885
US-20200335704-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF GPX1, LEF1, OCIAD1 TDP1 966/4885ALDH1A1 372/4885S100A4 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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