SCHEMBL20964163

SCHEMBL20964163

c1ccc(-c2nc3nc(n2)-c2cccc(c2)-c2cccc(c2)-c2ccc4c(c2)N(c2cccc(c2)-c2cccc(c2)-c2cccc-3c2)c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ FAAH O00519 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPSE Q9Y251 1/20 0.31

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
SCHEMBL16865035 0.93 ALDH1A1 (0.36) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20964199 0.92 MEN1 (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL15502179 0.89 MEN1 (0.33) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL16865047 0.89 ALDH1A1 (0.33) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL24304871 0.88 ALDH1A1 (0.33) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022917 0.86 ALDH1A1 (0.44) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022914 0.84 ALDH1A1 (0.45) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL31301119 0.83 L3MBTL1 (0.37) ALDH1A1FAAHHTTATMMGLL
SCHEMBL20347852 0.83 L3MBTL1 (0.37) ALDH1A1FAAHHTTATMMGLL
SCHEMBL16017498 0.83 ALDH1A1 (0.47) ALDH1A1FAAHHSP90AA1PKMHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10930858-B2 Nitrogen-containing compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-23 — — US disclosed
US-20190131534-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-02 — — 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-20190131534-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME NOS1, DNTT, NOS2 ALDH1A1 2261/4885FAAH 4537/4885HSP90AA1 3282/4885

“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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