SCHEMBL3758956

SCHEMBL3758956

COC(=O)CNC(=O)C1c2ccccc2C(=O)N1CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.52
SCN5A Q14524 3/20 0.52
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
KCNH2 Q12809 3/20 0.47
GAA P10253 1/20 0.47
FFAR1 O14842 1/20 0.45
TP53 P04637 1/20 0.45
KCNA5 P22460 2/20 0.45
P2RX7 Q99572 2/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3752979 0.85 TSHR (0.49) SCN9ASCN5AALDH1A1TSHRKCNH2
SCHEMBL3749120 0.81 SCN9A (0.55) SCN9ASCN5AALDH1A1KCNH2KCNA5
SCHEMBL3750327 0.81 KMT2A (0.65) SCN9ASCN5AALDH1A1TSHRKCNH2
SCHEMBL3750564 0.77 KCNA5 (0.60) ALDH1A1TSHRKCNH2GAATP53
SCHEMBL3749976 0.77 KCNA5 (0.62) ALDH1A1KCNH2KCNA5LMNASMN1; SMN2
SCHEMBL3758260 0.76 SCN9A (0.58) SCN9ASCN5AALDH1A1KCNH2TP53
SCHEMBL3760917 0.76 KCNA5 (0.74) KCNH2KCNA5
SCHEMBL3755834 0.76 KCNA5 (0.75) SCN9ASCN5AKCNH2TP53KCNA5
SCHEMBL3748022 0.74 KCNA5 (0.75) ALDH1A1KCNH2TP53KCNA5LMNA
SCHEMBL3755266 0.73 KCNA5 (0.56) ALDH1A1KCNH2TP53KCNA5P2RX7

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 10 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
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO 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
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN 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 SCN9A 119/4885SCN5A 48/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 SCN9A 177/4885SCN5A 26/4885ALDH1A1 310/4885

“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.