SCHEMBL17810053

SCHEMBL17810053

Brc1ccc2c(c1)-c1ccccc1-c1cccc3c4ccccc4n-2c13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
DUSP3 P51452 1/20 0.42
PTPRC P08575 1/20 0.39
TSPO P30536 2/20 0.37
GABRA1 P14867 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRB2 P47870 4/20 0.36
GABRA3 P34903 3/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 2/20 0.33
PARP1 P09874 2/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL17810060 0.88 IDO1 (0.38) IDO1TDO2IDO2DUSP3PTPRC
SCHEMBL17810057 0.84 DUSP3 (0.46) DUSP3KDM4EATML3MBTL1MEN1
SCHEMBL17809879 0.84 DUSP3 (0.44) DUSP3TSPOTSHRKDM4EATM
SCHEMBL17809832 0.81 DUSP3 (0.50) IDO1TDO2IDO2DUSP3KDM4E
SCHEMBL17810113 0.81 ALDH1A1 (0.43) DUSP3PTPRCTSHRKDM4EATM
SCHEMBL17810065 0.81 SMARCA2 (0.44) IDO1TDO2IDO2DUSP3GABRA1
SCHEMBL17810052 0.81 DUSP3 (0.42) DUSP3KDM4EATML3MBTL1ACHE
SCHEMBL24658996 0.81 KDM4E (0.38) IDO1TDO2IDO2DUSP3KDM4E
SCHEMBL17810045 0.81 DUSP3 (0.40) DUSP3KDM4EATML3MBTL1CYP1A2
SCHEMBL17809990 0.80 DUSP3 (0.41) DUSP3TSPOGABRA5KDM4EATM

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 IDO1 3015/4885TDO2 2619/4885IDO2 2729/4885

“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.