SCHEMBL18350171

SCHEMBL18350171

O=[N+]([O-])c1ccc2c(sc3ccccc32)c1-c1cccc2c1c1ccccc1n2-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PARP14 Q460N5 1/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ APP P05067 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTPRC P08575 1/20 0.32

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
SCHEMBL16919494 0.81 PARP14 (0.43) CYP19A1PARP14KMT2AMEN1ALDH1A1
SCHEMBL20821663 0.79 ATM (0.46) KDM4EATML3MBTL1PARP14KMT2A
SCHEMBL16283087 0.78 ALDH1A1 (0.36) CYP19A1KMT2AMEN1ALDH1A1NPC1
SCHEMBL30562779 0.77 KDM4E (0.46) LMNAPKMKDM4EATML3MBTL1
SCHEMBL20595209 0.77 KDM4E (0.46) LMNAPKMKDM4EATML3MBTL1
SCHEMBL17431194 0.76 ATM (0.42) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL19169193 0.76 PARP14 (0.40) KDM4EATML3MBTL1PARP14KMT2A
SCHEMBL4554296 0.75 ATM (0.50) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL18419179 0.75 ALDH1A1 (0.36) LMNAPKMCYP19A1KMT2AMEN1
SCHEMBL23426848 0.75 ATM (0.44) KDM4EATML3MBTL1PARP14KMT2A

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 4 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

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 LMNA 1884/4885PKM 2726/4885CYP19A1 177/4885
US-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 LMNA 1889/4885PKM 3119/4885CYP19A1 182/4885
US-10741771-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof GPX1, OR51E2, OCIAD1 LMNA 1889/4885PKM 3119/4885CYP19A1 182/4885
US-20200335704-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF GPX1, LEF1, OCIAD1 LMNA 1884/4885PKM 2726/4885CYP19A1 177/4885

“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.

Send feedback