SCHEMBL20201303

SCHEMBL20201303

Clc1cc2sc3ccc(N(c4ccccc4)c4ccccc4)cc3c2c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR3 P46089 1/20 0.32

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
SCHEMBL19239166 0.96 GPR3 (0.37) KDM4EMAOAMAOBALDH1A1CYP1A2
SCHEMBL22925206 0.91 MEN1 (0.34) KDM4EMAOAMAOBALDH1A1MAPT
SCHEMBL19239134 0.89 AHR (0.40) KDM4EALDH1A1MAPT
SCHEMBL21398782 0.84 MCL1 (0.38) KDM4EMAOAMAOBALDH1A1CYP1A2
SCHEMBL24000244 0.84 MAPT (0.42) KDM4EMAOAMAOBALDH1A1CYP1A2
SCHEMBL15852566 0.84 KDM4E (0.33) KDM4EMAOAMAOBALDH1A1CYP1A2
SCHEMBL21398641 0.83 GPR3 (0.38) KDM4EMAOAMAOBALDH1A1CYP1A2
SCHEMBL21398613 0.82 KDM4E (0.32) KDM4EMAOAMAOB
SCHEMBL21936415 0.82 KDM4E (0.32) KDM4EMAOAMAOB
SCHEMBL15852623 0.82 NQO2 (0.36) KDM4EMAOAMAOBALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210028370-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2021-01-28 US disclosed
US-10651391-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-05-12 US disclosed
US-20190245148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2019-08-08 US disclosed
US-10319915-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2019-06-11 US disclosed
US-20180151806-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-31 US disclosed
US-20180151806-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-31 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 (5 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-10319915-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EML4, EBPL, NFE2L2 KDM4E 902/4885MAOA 1163/4885MAOB 1996/4885
US-20210028370-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE1, SLC39A11 KDM4E 1966/4885MAOA 2243/4885MAOB 3275/4885
US-20190245148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EML4, EBPL, NFE2L2 KDM4E 902/4885MAOA 1163/4885MAOB 1996/4885
US-20180151806-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EBPL, EML4, NFE2L2 KDM4E 853/4885MAOA 1491/4885MAOB 2390/4885
US-10651391-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EML4, EBPL, NFE2L2 KDM4E 902/4885MAOA 1163/4885MAOB 1996/4885

“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.