SCHEMBL3750559

SCHEMBL3750559

CC(C)(C)CN1C(=O)c2ccccc2C1C(=O)NCCc1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNA5 P22460 6/20 0.48
SCN9A Q15858 4/20 0.44
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 2/20 0.43
P2RX7 Q99572 2/20 0.42

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
SCHEMBL3758370 0.91 KMT2A (0.53) TP53ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3747848 0.86 KCNA5 (0.56) TP53ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3753743 0.86 MAPT (0.57) TP53ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3757757 0.84 KCNA5 (0.52) TP53ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3756043 0.81 KCNA5 (0.64) TP53ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3750363 0.80 KCNA5 (0.60) ALDH1A1KCNA5SCN9AKCNH2SCN5A
SCHEMBL3762913 0.79 GAA (0.57) TP53ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3746137 0.79 KCNA5 (0.56) TP53ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3751302 0.78 P2RX7 (0.57) KCNA5SCN9AKCNH2SCN5AP2RX7
SCHEMBL3750421 0.78 KCNA5 (0.55) KCNA5SCN9AKCNH2SCN5AP2RX7

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 TP53 3912/4885ALDH1A1 315/4885KMT2A 3483/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TP53 3602/4885ALDH1A1 310/4885KMT2A 3979/4885

“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.