SCHEMBL17548811

SCHEMBL17548811

O=[N+]([O-])c1ccccc1-c1cc2sc3cc4c(cc3c2c2ccccc12)c1ccccc1n4-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ EIF4E P06730 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ USP1 O94782 1/20 0.31
▸ WDR48 Q8TAF3 1/20 0.31
▸ LMNA P02545 3/20 0.31
▸ PKM P14618 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPRT1 P00492 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL17548824 0.84 KDM4E (0.38) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL19120045 0.80 ATM (0.35) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL19660362 0.80 ATM (0.35) ALDH1A1KDM4EATML3MBTL1LMNA
SCHEMBL21578557 0.79 ALDH1A1 (0.51) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL19320103 0.79 ALDH1A1 (0.38) ALDH1A1TDP1EIF4E
SCHEMBL17548812 0.78 KDM4E (0.39) KDM4EATML3MBTL1HDAC4
SCHEMBL19319993 0.77 L3MBTL1 (0.50) ALDH1A1KDM4EATML3MBTL1HDAC4
SCHEMBL25557866 0.77 TDP1 (0.48) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL22173008 0.75 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EATML3MBTL1
SCHEMBL17548847 0.75 CRHBP (0.31) ALDH1A1TDP1CRHBPCRHR2HPRT1

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 ALDH1A1 1187/4885TDP1 2081/4885EIF4E 771/4885

“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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