SCHEMBL20201298

SCHEMBL20201298

c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR3 P46089 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ PTPN7 P35236 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN12 Q05209 1/20 0.31
▸ PTPN22 Q9Y2R2 1/20 0.31
▸ PIM3 Q86V86 1/20 0.30
▸ APP P05067 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
SCHEMBL18802636 0.99 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18802643 0.95 ALDH1A1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18802623 0.94 GPR3 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL14295405 0.94 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15614252 0.93 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15179916 0.93 RXRA (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15180093 0.93 GPR3 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21966050 0.93 ALDH1A1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15179860 0.92 PIM3 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23871109 0.92 ALOX5 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-20210098706-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-04-01 — — 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 (3 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-20210098706-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE THEREOF EED, PIEZO1, TRPA1 ALDH1A1 1943/4885MAPT 655/4885HPGD 2996/4885
US-10319915-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EML4, EBPL, NFE2L2 ALDH1A1 1021/4885MAPT 881/4885HPGD 3558/4885
US-20180151806-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EBPL, EML4, NFE2L2 ALDH1A1 919/4885MAPT 975/4885HPGD 3851/4885

“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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