SCHEMBL17405488

SCHEMBL17405488

c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5c5c6ccccc6sc5c43)nc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 1/20 0.39
NUDT1 P36639 3/20 0.34
ADORA2A P29274 2/20 0.34
MAPK1 P28482 2/20 0.34
ATM Q13315 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
IL1R1 P14778 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
SCHEMBL17405749 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17661398 0.98 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17405800 0.97 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16867232 0.97 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL22011991 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL22011587 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16275631 0.96 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16275736 0.96 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17660896 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17406198 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125276-A1 ORGANIC COMPOUND AND USE THEREOF 北京鼎材科技有限公司 2023-07-06 WO disclosed
US-20230200219-A1 A compound, an organic electroluminescent device and a display device BEIJING ETERNAL MATERIAL TECHNOLOGY CO., LTD (CN) 2023-06-22 US disclosed
US-20230200219-A1 A compound, an organic electroluminescent device and a display device BEIJING ETERNAL MATERIAL TECHNOLOGY CO., LTD (CN) 2023-06-22 US disclosed
US-20220158095-A1 Compound, Organic Electroluminescent Device Containing Same and Application Thereof BEIJING ETERNAL MAT TECH CO LTD (CN) 2022-05-19 US disclosed
US-20220149281-A1 ORGANIC ELECTROLUMINESCENT DEVICE, DISPLAY PANEL AND DISPLAY DEVICE KUNSHAN GO-VISIONOX OPTO-ELECTRONICS CO., LTD (CN) 2022-05-12 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
WO-2016052835-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-04-07 WO disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20220158095-A1 Compound, Organic Electroluminescent Device Containing Same and Application Thereof OR10J3, PIEZO1, TRPM8 ALDH1A1 514/4885KDM4E 1462/4885HPGD 3702/4885
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ALDH1A1 1348/4885KDM4E 1073/4885HPGD 821/4885
US-20230200219-A1 A compound, an organic electroluminescent device and a display device L1CAM, VDAC2, CD274 ALDH1A1 125/4885KDM4E 2587/4885HPGD 3496/4885

“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.