SCHEMBL20435172

SCHEMBL20435172

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4ccc5ccccc5c34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ HDAC4 P56524 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ PDE6D O43924 1/20 0.30
▸ RAC2 P15153 1/20 0.30
▸ RAC3 P60763 1/20 0.30
▸ CDC42 P60953 1/20 0.30
▸ RAC1 P63000 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
SCHEMBL20435173 1.00 TSPO (0.38) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL20435248 0.98 KDM4E (0.40) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL20435253 0.98 KDM4E (0.40) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL20435119 0.98 L3MBTL1 (0.40) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL17081197 0.98 L3MBTL1 (0.40) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL20435112 0.97 KDM4E (0.41) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL20435185 0.96 KDM4E (0.38) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL20435167 0.95 KDM4E (0.36) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL20435164 0.95 KDM4E (0.36) TSPOKDM4EATML3MBTL1PTGES
SCHEMBL20435180 0.95 KDM4E (0.38) TSPOKDM4EATML3MBTL1PTGES

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-20180219157-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-08-02 — — US disclosed
US-20180219157-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-08-02 — — 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-20180219157-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, PIEZO1 TSPO 2863/4885KDM4E 3591/4885ATM 1067/4885

“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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