SCHEMBL3750100

SCHEMBL3750100

CC(C)(C)CCN1C(=O)c2ccccc2C1C(=O)NCCc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.54
ALDH1A1 P00352 2/20 0.51
KCNA5 P22460 4/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
P2RX7 Q99572 3/20 0.49
SCN9A Q15858 4/20 0.47
SCN5A Q14524 3/20 0.47
KCNH2 Q12809 3/20 0.47
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
SCHEMBL3757504 0.90 P2RX7 (0.56) KCNA5P2RX7SCN9ASCN5AKCNH2
SCHEMBL3747848 0.90 KCNA5 (0.56) KMT2ATP53ALDH1A1KCNA5LMNA
SCHEMBL3758131 0.89 KCNA5 (0.57) KMT2ATP53ALDH1A1KCNA5LMNA
SCHEMBL3760736 0.89 MAPT (0.55) KMT2ATP53ALDH1A1KCNA5LMNA
SCHEMBL3752652 0.89 KMT2A (0.57) KMT2ATP53ALDH1A1KCNA5LMNA
SCHEMBL3755585 0.87 KMT2A (0.54) KMT2ATP53ALDH1A1KCNA5LMNA
SCHEMBL3758370 0.86 KMT2A (0.53) KMT2ATP53ALDH1A1KCNA5LMNA
SCHEMBL3756060 0.86 P2RX7 (0.63) KMT2ATP53ALDH1A1KCNA5LMNA
SCHEMBL3744206 0.85 KCNA5 (0.50) KMT2ATP53ALDH1A1KCNA5LMNA
SCHEMBL3755739 0.85 KMT2A (0.59) KMT2ATP53ALDH1A1KCNA5LMNA

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