SCHEMBL17810065

SCHEMBL17810065

Clc1ccc2c(c1)-c1ccccc1-c1cccc3c4ccccc4n-2c13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.44
APAF1 O14727 1/20 0.44
DUSP3 P51452 1/20 0.42
IDO1 P14902 2/20 0.39
S100A4 P26447 1/20 0.39
OPRK1 P41145 4/20 0.37
GABRA1 P14867 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
PDE4D Q08499 2/20 0.37
GABRG2 P18507 1/20 0.37
HTR2A P28223 1/20 0.37
GABRB3 P28472 1/20 0.37
ADRA1A P35348 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL17810042 0.91 DUSP3 (0.40) SMARCA2APAF1DUSP3IDO1S100A4
SCHEMBL23026974 0.84 MAT2A (0.40) SMARCA2APAF1DUSP3IDO1S100A4
SCHEMBL17809879 0.84 DUSP3 (0.44) APAF1DUSP3KDM4EL3MBTL1MAPT
SCHEMBL17809832 0.81 DUSP3 (0.50) DUSP3IDO1KDM4EL3MBTL1MAPT
SCHEMBL17810057 0.81 DUSP3 (0.46) DUSP3KDM4EL3MBTL1MAPTHPGD
SCHEMBL17810052 0.81 DUSP3 (0.42) DUSP3KDM4EL3MBTL1ATMALDH1A1
SCHEMBL17810113 0.81 ALDH1A1 (0.43) APAF1DUSP3S100A4TDP1KDM4E
SCHEMBL17810053 0.81 IDO1 (0.44) DUSP3IDO1GABRA1GABRA5GABRA3
SCHEMBL23206302 0.80 BMX (0.37) APAF1DUSP3L3MBTL1MAPTBRD4
SCHEMBL17809990 0.80 DUSP3 (0.41) APAF1DUSP3GABRA5GABRG2GABRB3

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-9502667-B2 Organic electroluminescence IDEMITSU KOSAN CO., LTD. (JP) 2016-11-22 US disclosed
US-9502667-B2 Organic electroluminescence IDEMITSU KOSAN CO., LTD. (JP) 2016-11-22 US disclosed
US-20160163998-A1 ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-09 US disclosed
US-20160163998-A1 ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-09 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 (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-20160163998-A1 ORGANIC ELECTROLUMINESCENCE EML4, ODC1, NDC1 SMARCA2 3025/4885APAF1 3709/4885DUSP3 4656/4885

“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.