SCHEMBL20061245

SCHEMBL20061245

N#Cc1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Sc5ccccc54)ccc32)c(-n2c3ccccc3c3cc(N4c5ccccc5Sc5ccccc54)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 2/20 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
SCHEMBL20061228 0.89 HDAC6 (0.33) ACHEMAPK1LMNAPGRCHRM2
SCHEMBL20061232 0.87 KDM4E (0.37) ALDH1A1RORCENPP3G6PDKDM4E
SCHEMBL20061221 0.84 KDM4E (0.40) ALDH1A1RORCENPP3KDM4EMAPT
SCHEMBL20067840 0.84 KDM4E (0.40) ALDH1A1RORCENPP3KDM4EMAPT
SCHEMBL20067838 0.84 KDM4E (0.40) ALDH1A1RORCENPP3KDM4EMAPT
SCHEMBL20061226 0.84 RORC (0.31) ALDH1A1RORCENPP3KDM4EMAPT
SCHEMBL20061244 0.82 PGR (0.37) PGRALDH1A1RORCENPP3KDM4E
SCHEMBL22624283 0.81 PTGER4 (0.40) ALDH1A1RORCENPP3G6PDKDM4E
SCHEMBL29966177 0.80 CA1 (0.42) ALDH1A1RORCENPP3G6PDKDM4E
SCHEMBL19809800 0.80 CA1 (0.42) ALDH1A1RORCENPP3G6PDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11239439-B2 Material for organic electroluminescent device, light-emitting material, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2022-02-01 US disclosed
US-20180108857-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2018-04-19 US disclosed
US-20180108857-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2018-04-19 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 (2 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-11239439-B2 Material for organic electroluminescent device, light-emitting material, and organic electroluminescent device LEF1, POU2F1, L3MBTL1 ACHE 269/4885MAPK1 556/4885LMNA 901/4885
US-20180108857-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE LEF1, POU2F1, L3MBTL1 ACHE 269/4885MAPK1 556/4885LMNA 901/4885

“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.