SCHEMBL17015690

SCHEMBL17015690

O=P(c1ccccc1)(c1ccccc1)c1cccc(-n2c3ccccc3c3ccc4c(ccn4-c4ccc(-c5ccccc5)cc4)c32)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ HDAC4 P56524 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
SCHEMBL17015221 0.96 NPSR1 (0.39) NPSR1KDM4EATML3MBTL1DHODH
SCHEMBL17015770 0.93 NPSR1 (0.35) NPSR1KDM4EATML3MBTL1
SCHEMBL17016180 0.91 KDM4E (0.39) NPSR1KDM4EATML3MBTL1DHODH
SCHEMBL17015692 0.91 NPSR1 (0.39) NPSR1KDM4EATML3MBTL1HTR7
SCHEMBL17015220 0.89 KDM4E (0.41) NPSR1KDM4EATML3MBTL1DHODH
SCHEMBL19668896 0.89 KDM4E (0.41) NPSR1KDM4EATML3MBTL1DHODH
SCHEMBL16919827 0.88 MAOB (0.33) NPSR1MAOB
SCHEMBL17015705 0.88 L3MBTL1 (0.41) KDM4EATML3MBTL1HTR7EDNRB
SCHEMBL17015772 0.86 NPSR1 (0.36) NPSR1KDM4EATML3MBTL1HDAC4
SCHEMBL15684055 0.85 ATM (0.40) KDM4EATML3MBTL1HTR7MAOB

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-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 — — US disclosed
US-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 — — US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 — — US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 — — 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-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME INMT, IDO1, IDO2 NPSR1 1915/4885KDM4E 1286/4885ATM 3623/4885

“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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