SCHEMBL21630296

SCHEMBL21630296

FC(F)(F)Oc1ccc(Oc2cc[c]c(C(F)(F)F)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.35
SCN9A Q15858 3/20 0.35
KCNH2 Q12809 2/20 0.35
FPR2 P25090 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 2/20 0.33
MAPT P10636 1/20 0.33
CHRM5 P08912 2/20 0.32
IDO1 P14902 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21630262 0.86 LMNA (0.45) SCN5ASCN9AKCNH2KDM4ELMNA
SCHEMBL21630297 0.84 THRB (0.40) MAPK8MAPK10KDM4ELMNASLC6A4
SCHEMBL21630306 0.84 KDM4E (0.42) SCN9AKCNH2KDM4ELMNASLC6A4
SCHEMBL21630260 0.82 KDM4E (0.32) SCN9AKDM4ELMNAL3MBTL1MAPT
SCHEMBL21630396 0.78 SCN9A (0.38) SCN9AKDM4ELMNAL3MBTL1MAPT
SCHEMBL21630301 0.77 GRM4 (0.35)
SCHEMBL21630286 0.77 THRB (0.36)
SCHEMBL491269 0.73 NFE2L2 (0.34) POLBGAA
SCHEMBL2903371 0.71 SCN5A (0.37) SCN5ASCN9AKCNH2MAPK8MAPK10
SCHEMBL21630388 0.71 MAPK8 (0.39) SCN5ASCN9AKCNH2NOTUMMAPK8

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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C SCN5A 3529/4885SCN9A 4604/4885KCNH2 3875/4885

“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.