SCHEMBL16671215

SCHEMBL16671215

O=[N+]([O-])c1ccc(Cl)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PDE7A Q13946 1/20 0.37
▸ PDE7B Q9NP56 1/20 0.37
▸ EDNRA P25101 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37

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
SCHEMBL16671030 0.93 L3MBTL1 (0.42) L3MBTL1KDM4EATMMAPTLMNA
SCHEMBL23510387 0.90 MAPK1 (0.42) L3MBTL1KDM4EATMMAPTLMNA
SCHEMBL14756544 0.87 ALDH1A1 (0.50) L3MBTL1KDM4EATMMAPTLMNA
SCHEMBL21578557 0.82 ALDH1A1 (0.51) L3MBTL1KDM4EATMMAPTLMNA
SCHEMBL19501151 0.81 L3MBTL1 (0.40) L3MBTL1KDM4EATMMAPTLMNA
SCHEMBL17177954 0.81 ALDH1A1 (0.47) L3MBTL1KDM4EATMMAPTLMNA
SCHEMBL15845403 0.80 PGR (0.38) L3MBTL1MAPTLMNANPSR1GAA
SCHEMBL18666053 0.80 ATM (0.45) L3MBTL1KDM4EATMMAPTLMNA
SCHEMBL19119484 0.80 ATM (0.45) L3MBTL1KDM4EATMMAPTLMNA
SCHEMBL16726785 0.80 ATM (0.45) L3MBTL1KDM4EATMMAPTLMNA

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-20170309831-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20170309831-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
WO-2015060684-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-30 — — 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-20170309831-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OR51E2 L3MBTL1 4661/4885KDM4E 4515/4885ATM 4238/4885

“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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