SCHEMBL21936770

SCHEMBL21936770

c1ccc(-c2ccc(N(c3cc(N(c4ccccc4)c4ccccc4)c4sc5ccccc5c4c3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ ALOX5 P09917 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ LIMK1 P53667 2/20 0.34
▸ APP P05067 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL24152841 1.00 TNKS (0.42) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL17740659 1.00 TNKS (0.42) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL23871137 0.95 TNKS (0.39) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL21936952 0.94 GPR3 (0.39) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL23664775 0.94 LIMK1 (0.38) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL17740650 0.93 TNKS (0.39) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL21936761 0.93 GPR3 (0.41) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL23871164 0.92 LIMK1 (0.36) TNKSTNKS2MAPTL3MBTL1ALDH1A1
SCHEMBL23871162 0.92 LIMK1 (0.36) TNKSTNKS2MAPTL3MBTL1ALDH1A1
SCHEMBL21342290 0.92 TNKS (0.36) TNKSTNKS2ALOX5MAPTL3MBTL1

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-20210380568-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2021-12-09 — — US disclosed
WO-2020085797-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-30 — — 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-20210380568-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, VDAC2 TNKS 4523/4885TNKS2 4177/4885ALOX5 739/4885

“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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