SCHEMBL23957246

SCHEMBL23957246

N#Cc1c(I)c(O)c(O)c(O)c1I

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23957275 0.92 TTR (0.37) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL23957187 0.86 TTR (0.37) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL23957341 0.83 TTR (0.36) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL23957202 0.83 TTR (0.36) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL23957192 0.83 TTR (0.36) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL23957249 0.82 TTR (0.39) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL23957250 0.80 TTR (0.37) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL23957245 0.77 TTR (0.39) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL9576714 0.74 MEN1 (0.46) TTRALBKDM4EMEN1ALDH1A1
SCHEMBL10495691 0.72 TTR (0.52) TTRALBKDM4EMEN1ALDH1A1

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-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 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-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP TTR 2066/4885ALB 2643/4885KDM4E 1054/4885

“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.