SCHEMBL3756578

SCHEMBL3756578

CC(CCc1ccccc1)N1C(=O)c2ccccc2C1C(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.56
P2RX7 Q99572 6/20 0.56
SCN9A Q15858 4/20 0.52
KCNH2 Q12809 3/20 0.52
SCN5A Q14524 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.43
EPHX2 P34913 2/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL3751695 0.87 KCNA5 (0.72) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3750640 0.86 KCNA5 (0.59) KCNA5P2RX7SCN9AKCNH2SCN5A
SCHEMBL3746181 0.84 P2RX7 (0.58) KCNA5P2RX7SCN9AKCNH2SCN5A
SCHEMBL3760632 0.83 KCNA5 (0.60) KCNA5SCN9AKCNH2SCN5ATDP1
SCHEMBL3750747 0.83 P2RX7 (0.58) KCNA5P2RX7SCN9AKCNH2SCN5A
SCHEMBL3751973 0.83 P2RX7 (0.63) KCNA5P2RX7SCN9AKCNH2SCN5A
SCHEMBL3746039 0.81 P2RX7 (0.61) KCNA5P2RX7SCN9AKCNH2SCN5A
SCHEMBL4154462 0.79 P2RX7 (0.61) KCNA5P2RX7SCN9AKCNH2SCN5A
SCHEMBL3750861 0.79 KCNA5 (0.64) KCNA5P2RX7SCN9AKCNH2SCN5A
SCHEMBL3750088 0.79 P2RX7 (0.62) KCNA5P2RX7SCN9AKCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 KCNA5 69/4885P2RX7 1839/4885SCN9A 119/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885P2RX7 1138/4885SCN9A 177/4885

“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.