SCHEMBL12792102

SCHEMBL12792102

O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK8 P45983 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PGR P06401 2/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ FOLH1 Q04609 1/20 0.33

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
SCHEMBL12792049 0.89 NPSR1 (0.40) KDM4EATML3MBTL1NPSR1ALDH1A1
SCHEMBL23911727 0.87 KDM4E (0.46) KDM4EATML3MBTL1NPSR1ALDH1A1
SCHEMBL21031983 0.83 KDM4E (0.38) KDM4EATML3MBTL1NPSR1ALDH1A1
SCHEMBL23431347 0.82 NPSR1 (0.44) KDM4EATML3MBTL1NPSR1ALDH1A1
SCHEMBL12792046 0.82 KDM4E (0.56) KDM4EATML3MBTL1NPSR1ALDH1A1
SCHEMBL21032294 0.82 KDM4E (0.37) KDM4EATML3MBTL1NPSR1ALDH1A1
SCHEMBL22146607 0.81 KDM4E (0.41) KDM4EATML3MBTL1NPSR1KMT2A
SCHEMBL1638441 0.80 L3MBTL1 (0.82) KDM4EATML3MBTL1ALDH1A1MAPK8
SCHEMBL27426967 0.80 L3MBTL1 (0.82) KDM4EATML3MBTL1ALDH1A1MAPK8
SCHEMBL12792044 0.80 KDM4E (0.53) KDM4EATML3MBTL1NPSR1ALDH1A1

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
EP-2293357-B1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2014-12-10 — — EP disclosed
US-20110057184-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-03-10 — — US disclosed
US-20110057184-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-03-10 — — 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 (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-20110057184-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE LAS1L, EML4, OXA1L KDM4E 2598/4885ATM 2091/4885L3MBTL1 227/4885

“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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