SCHEMBL3750327

SCHEMBL3750327

COC(=O)CNC(=O)C1c2ccccc2C(=O)N1CCC(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
TDP1 Q9NUW8 1/20 0.63
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SCN9A Q15858 6/20 0.48
SCN5A Q14524 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNA5 P22460 7/20 0.47
GAA P10253 1/20 0.46
KCNH2 Q12809 4/20 0.46
TP53 P04637 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
SCHEMBL3743765 0.90 TDP1 (0.60) KMT2ATDP1TSHRALDH1A1SCN9A
SCHEMBL3749120 0.84 SCN9A (0.55) KMT2ATDP1ALDH1A1SCN9ASCN5A
SCHEMBL3758062 0.83 TDP1 (0.79) KMT2ATDP1ALDH1A1SCN9ASCN5A
SCHEMBL3745776 0.83 KCNA5 (0.62) KMT2ATDP1TSHRALDH1A1CYP3A4
SCHEMBL3748598 0.82 TDP1 (0.62) KMT2ATDP1TSHRALDH1A1SCN9A
SCHEMBL3758956 0.81 SCN9A (0.52) KMT2ATDP1TSHRALDH1A1SCN9A
SCHEMBL3755834 0.79 KCNA5 (0.75) KMT2ATDP1SCN9ASCN5AKCNA5
SCHEMBL27776326 0.76 TDP1 (0.51) KMT2ATDP1TSHRALDH1A1SCN9A
SCHEMBL3749976 0.76 KCNA5 (0.62) ALDH1A1KCNA5KCNH2
SCHEMBL3745594 0.75 SCN9A (0.46) KMT2ATDP1TSHRALDH1A1SCN9A

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 8 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
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 KMT2A 3483/4885TDP1 2095/4885TSHR 1287/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KMT2A 3979/4885TDP1 1271/4885TSHR 1483/4885

“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.