SCHEMBL23957253

SCHEMBL23957253

N#Cc1cc(C#N)cc(-c2c(F)c(F)c(C#N)c(F)c2F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.35
TRPV4 Q9HBA0 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TTR P02766 2/20 0.30
ALB P02768 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KIF11 P52732 1/20 0.30
PGR P06401 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
SCHEMBL22017311 0.89 GRM5 (0.38) GRM5CYP1A2CYP11B1CYP11B2TTR
SCHEMBL16772014 0.79
SCHEMBL17711173 0.79 KIF11 (0.44) CYP11B2KIF11
SCHEMBL22036980 0.78 DHODH (0.37) TRPV4CYP11B1CYP11B2MEN1KMT2A
SCHEMBL22251503 0.75 CYP11B1 (0.41) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL17711112 0.75 CTSS (0.37) TRPV4CYP11B1CYP11B2KMT2AKIF11
SCHEMBL6049158 0.74 TRPV4 (0.36) TRPV4MEN1KMT2A
SCHEMBL22036556 0.73 KIF11 (0.35) TRPV4KIF11
SCHEMBL17711160 0.72 HSD17B10 (0.47) GRM5MEN1KMT2A
SCHEMBL28131481 0.71 ENPP2 (0.42)

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 GRM5 2923/4885TRPV4 2087/4885CYP1A2 567/4885

“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.