SCHEMBL3756104

SCHEMBL3756104

CCOc1ccccc1CN1C(=O)c2ccccc2C1C(=O)NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.67
KCNA5 P22460 3/20 0.62
ALDH1A1 P00352 3/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KCNH2 Q12809 2/20 0.52
PRMT5 O14744 4/20 0.51
WDR77 Q9BQA1 4/20 0.51
SCN9A Q15858 2/20 0.50
SCN5A Q14524 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL3750006 0.90 ALDH1A1 (0.66) THRBKCNA5ALDH1A1POLBLMNA
SCHEMBL3747923 0.86 P2RX7 (0.63) THRBKCNA5ALDH1A1POLBLMNA
SCHEMBL3756521 0.84 KCNA5 (0.68) KCNA5ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL3751985 0.83 KCNA5 (0.86) KCNA5ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL3748526 0.83 KCNA5 (0.67) KCNA5ALDH1A1KCNH2PRMT5WDR77
SCHEMBL3745253 0.82 KCNA5 (0.68) KCNA5ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL3929089 0.81 THRB (0.66) THRBKCNA5ALDH1A1LMNASMN1; SMN2
SCHEMBL3751844 0.80 SCN9A (0.61) KCNA5ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL3750861 0.80 KCNA5 (0.64) KCNA5ALDH1A1KCNH2PRMT5WDR77
SCHEMBL3762591 0.80 KCNA5 (0.64) KCNA5ALDH1A1POLBLMNASMN1; SMN2

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
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
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 THRB 1799/4885KCNA5 69/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 THRB 1412/4885KCNA5 72/4885ALDH1A1 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.