SCHEMBL3755629

SCHEMBL3755629

CC(C)(C)N(Cc1ccccc1-c1ccc(F)c(F)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.45
LTB4R2 Q9NPC1 2/20 0.41
KCNH2 Q12809 2/20 0.41
P2RY1 P47900 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
KLK1 P06870 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BDKRB1 P46663 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2952954 0.81 PTGER1 (0.42) KCNA5KCNH2MEN1KMT2ANPC1
SCHEMBL6048497 0.79 SLC6A4 (0.54) KCNH2P2RY1F10F2KLK1
Hydrochloric Acid SCHEMBL6048489 0.78 SLC6A4 (0.52) KCNH2P2RY1F10F2KLK1
SCHEMBL3754160 0.76 KCNA5 (0.41) KCNA5LTB4R2SLC22A12ALDH1A1LMNA
SCHEMBL2959560 0.75 MEN1 (0.44) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL9890645 0.75 PTGS2 (0.53) KCNA5MEN1KMT2ARAB9A
SCHEMBL29459923 0.75 PTGS2 (0.53) KCNA5MEN1KMT2ARAB9A
SCHEMBL23347204 0.74 ALOX5AP (0.56) KCNA5LTB4R2ALOX5APFEN1
SCHEMBL3949417 0.73 KCNA5 (0.45) KCNA5KCNH2SLC22A12BDKRB1ALOX5AP
SCHEMBL2518702 0.72 RIPK1 (0.40) MEN1KMT2AHTTL3MBTL1KDM4E

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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885LTB4R2 1011/4885KCNH2 2/4885

“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.