SCHEMBL21709024

SCHEMBL21709024

c1ccc(-c2nc3ccccc3nc2-n2c3c4ccccc4ccc3c3ccc4ccccc4c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
PDE10A Q9Y233 3/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL19507873 0.92 HSD17B10 (0.42) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL24104899 0.89 HSD17B10 (0.40) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21213759 0.88 ESR1 (0.40) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL19507415 0.88 HSD17B10 (0.41) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL24037047 0.86 CASP1 (0.38) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL24275572 0.84 HSD17B10 (0.39) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL22425463 0.84 HSD17B10 (0.36) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL19161559 0.84 HSD17B10 (0.34) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL22425385 0.83 HSD17B10 (0.36) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL20968668 0.83 KDM4E (0.37) CASP1HSD17B10HRH4KDM4EALDH1A1

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-20230247899-A1 ORGANIC ELECTRONIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2023-08-03 US disclosed
US-20230247899-A1 ORGANIC ELECTRONIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2023-08-03 US disclosed
WO-2022010302-A1 ORGANIC ELECTRONIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2022-01-13 WO disclosed
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 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-20230247899-A1 ORGANIC ELECTRONIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREFOR SLC39A11, LEF1, SLC39A14 CASP1 78/4885HSD17B10 1957/4885HRH4 4878/4885

“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.