SCHEMBL3743765

SCHEMBL3743765

CC(C)CCN1C(=O)c2ccccc2C1C(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
KMT2A Q03164 1/20 0.59
KCNA5 P22460 8/20 0.46
SCN9A Q15858 6/20 0.46
SCN5A Q14524 4/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPRC P08575 2/20 0.45
ALDH1A1 P00352 1/20 0.44
KCNH2 Q12809 6/20 0.44
GAA P10253 1/20 0.44
KCNQ2 O43526 1/20 0.43
SCN2A Q99250 1/20 0.43

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
SCHEMBL3750327 0.90 KMT2A (0.65) TDP1KMT2AKCNA5SCN9ASCN5A
SCHEMBL3745594 0.85 SCN9A (0.46) TDP1KMT2AKCNA5SCN9ASCN5A
SCHEMBL3745776 0.82 KCNA5 (0.62) TDP1KMT2AKCNA5TSHRCYP3A4
SCHEMBL3752914 0.82 TSHR (0.50) TDP1KMT2AKCNA5SCN9ASCN5A
SCHEMBL3758062 0.81 TDP1 (0.79) TDP1KMT2AKCNA5SCN9ASCN5A
SCHEMBL3748598 0.80 TDP1 (0.62) TDP1KMT2AKCNA5SCN9ASCN5A
SCHEMBL3754328 0.80 KCNA5 (0.71) KCNA5KCNH2
SCHEMBL3752979 0.80 TSHR (0.49) SCN9ASCN5ATSHRCYP3A4CYP2C9
SCHEMBL3761488 0.80 KCNA5 (0.54) KCNA5ALDH1A1KCNH2
SCHEMBL3746135 0.79 ALDH1A1 (0.65) KCNA5ALDH1A1KCNH2

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 TDP1 2095/4885KMT2A 3483/4885KCNA5 69/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TDP1 1271/4885KMT2A 3979/4885KCNA5 72/4885

“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.