SCHEMBL3754108

SCHEMBL3754108

CC(C)CN1C(=O)c2ccccc2C1C(=O)NCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
TP53 P04637 1/20 0.51
KCNA5 P22460 7/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 3/20 0.48
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
P2RX7 Q99572 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 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
SCHEMBL3753475 0.91 TDP1 (0.54) KMT2AKCNA5KCNH2SCN5ASCN9A
SCHEMBL3757757 0.88 KCNA5 (0.52) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3750268 0.88 KMT2A (0.59) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3755585 0.86 KMT2A (0.54) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3755739 0.86 KMT2A (0.59) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3758305 0.82 KMT2A (0.61) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3756000 0.81 KCNA5 (0.67) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3750814 0.80 SCN9A (0.66) KCNA5KCNH2SCN5ASCN9A
SCHEMBL3756437 0.79 KMT2A (0.58) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3756997 0.79 KCNA5 (0.59) KMT2ATP53KCNA5ALDH1A1LMNA

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 5 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-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 3912/4885KCNA5 69/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KMT2A 3979/4885TP53 3602/4885KCNA5 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.