SCHEMBL23979311

SCHEMBL23979311

N#Cc1c(-n2c3ccccc3c3cc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-n3c4ccc(-n5c6ccccc6c6ncccc65)cc4c4ncccc43)ccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
NPY5R Q15761 1/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
AR P10275 2/20 0.31
TSPO P30536 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER4 P35408 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL23983335 0.99 CYP11B2 (0.33) CYP11B2NPY5RRAC2RAC3CDC42
SCHEMBL21911836 0.99 CYP11B2 (0.33) CYP11B2NPY5RRAC2RAC3CDC42
SCHEMBL23983334 0.99 CYP11B2 (0.33) CYP11B2NPY5RRAC2RAC3CDC42
SCHEMBL23984105 0.94 CYP11B2 (0.36) CYP11B2NPY5RTSPOKDM4EPTGER4
SCHEMBL23983291 0.93 CYP11B2 (0.37) CYP11B2NPY5RTSPOKDM4ESMN1; SMN2
SCHEMBL21911833 0.92 CYP11B2 (0.34) CYP11B2NPY5RKDM4EATML3MBTL1
SCHEMBL23983406 0.92 RECQL (0.34) CYP11B2NPY5RARKDM4EATM
SCHEMBL23984091 0.91 RECQL (0.35) CYP11B2ARKDM4EATML3MBTL1
SCHEMBL23983415 0.87 ALOX5 (0.36)
SCHEMBL17570302 0.87 KDM4E (0.40) NPY5RRAC2RAC3CDC42RAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210343947-A1 BENZONITRILE DERIVATIVE AND MANUFACTURING METHOD THEREFOR, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT-EMITTING THIN FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2021-11-04 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-20210343947-A1 BENZONITRILE DERIVATIVE AND MANUFACTURING METHOD THEREFOR, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT-EMITTING THIN FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, TCF4, SLC6A11 CYP11B2 549/4885NPY5R 3406/4885RAC2 3165/4885

“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.