SCHEMBL3753833

SCHEMBL3753833

Cc1cc(F)ccc1-c1ccccc1CN1C(=O)c2ccccc2C1C(=O)NCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.53
PRMT5 O14744 9/20 0.51
WDR77 Q9BQA1 9/20 0.51
KCNH2 Q12809 1/20 0.49
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3757969 0.88 KCNA5 (0.64) KCNA5PRMT5WDR77KCNH2
SCHEMBL3750338 0.87 P2RX7 (0.63) KCNA5PRMT5WDR77KCNH2P2RX7
SCHEMBL3752336 0.84 KCNA5 (0.66) KCNA5PRMT5WDR77KCNH2P2RX7
SCHEMBL3755613 0.84 KCNA5 (0.64) KCNA5PRMT5WDR77KCNH2ALDH1A1
SCHEMBL3750384 0.81 KCNA5 (0.56) KCNA5PRMT5WDR77KCNH2ALDH1A1
SCHEMBL3755266 0.81 KCNA5 (0.56) KCNA5KCNH2P2RX7ALDH1A1
SCHEMBL3751864 0.80 KCNA5 (0.61) KCNA5KCNH2ALDH1A1POLB
SCHEMBL3753083 0.80 KCNA5 (0.75) KCNA5KCNH2
SCHEMBL3757767 0.79 KCNA5 (0.78) KCNA5PRMT5WDR77KCNH2
SCHEMBL3743855 0.77 KCNA5 (0.69) KCNA5PRMT5WDR77KCNH2

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 6 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
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO 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 69/4885PRMT5 1341/4885WDR77 2402/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885PRMT5 683/4885WDR77 2954/4885

“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.