SCHEMBL17548824

SCHEMBL17548824

O=[N+]([O-])c1ccccc1-c1cccc2sc3cc4c(cc3c12)c1ccccc1n4-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GUSB P08236 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ C1R P00736 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 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
SCHEMBL17548811 0.84 ALDH1A1 (0.37) KDM4EATML3MBTL1LMNAPKM
SCHEMBL19320103 0.80 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL30562779 0.79 KDM4E (0.46) KDM4EATML3MBTL1LMNAPKM
SCHEMBL20595209 0.79 KDM4E (0.46) KDM4EATML3MBTL1LMNAPKM
SCHEMBL19961765 0.78 KDM4E (0.41) KDM4EATML3MBTL1LMNAPKM
SCHEMBL16218709 0.77 TDP1 (0.47) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL17548822 0.76 ATM (0.46) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL17548767 0.76 ALDH1A1 (0.34) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL16999751 0.75 ATM (0.62) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL23259870 0.75 KMT2A (0.39) KDM4EATML3MBTL1ALDH1A1MEN1

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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — US disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 — — 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 (1 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 KDM4E 594/4885ATM 2903/4885L3MBTL1 783/4885

“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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