SCHEMBL16867232

SCHEMBL16867232

c1ccc(-c2nc(-n3c4ccccc4c4c3c3sc5ccccc5c3c3c5ccccc5n(-c5ccccc5)c34)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 0.39
LMNA P02545 1/20 0.39
NUDT1 P36639 3/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 2/20 0.33
ADORA2A P29274 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
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
SCHEMBL17405800 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL22011991 0.98 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL22011587 0.98 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17405749 0.97 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17405488 0.97 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17661398 0.95 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16275631 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16275736 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL24171872 0.95 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL22011984 0.94 ALDH1A1 (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2015099507-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND, AND MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-07-02 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-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

“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.