SCHEMBL3750427

SCHEMBL3750427

CC(C)CN1C(=O)c2ccccc2C1C(=O)NCc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
P2RX7 Q99572 3/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNA5 P22460 6/20 0.47
MAPK1 P28482 1/20 0.47
ALOX15 P16050 2/20 0.46
PKM P14618 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 1/20 0.43
DNMT1 P26358 2/20 0.43
CYP2C19 P33261 1/20 0.43
DNMT3B Q9UBC3 1/20 0.43
KMT2A Q03164 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 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
SCHEMBL3751823 0.90 KMT2A (0.51) TDP1ALDH1A1KCNA5MAPK1ALOX15
SCHEMBL3751840 0.86 P2RX7 (0.48) TDP1P2RX7ALDH1A1KCNA5MAPK1
SCHEMBL3751661 0.85 SCN9A (0.51) TDP1P2RX7ALDH1A1KCNA5MAPK1
SCHEMBL3745757 0.79 KCNA5 (0.69) KCNA5PKMTSHRKCNH2CYP2C19
SCHEMBL3755583 0.77 KCNA5 (0.48) P2RX7KCNA5PKMTSHRKCNH2
SCHEMBL3754277 0.77 MEN1 (0.51) KCNA5PKMTSHRCYP2C19KMT2A
SCHEMBL3755269 0.76 P2RX7 (0.55) TDP1P2RX7KCNA5KCNH2KMT2A
SCHEMBL3750590 0.76 P2RX7 (0.57) TDP1P2RX7ALDH1A1KCNA5KCNH2
SCHEMBL3745544 0.76 MTNR1A (0.49) ALDH1A1PKMTSHRCYP2C19KMT2A
SCHEMBL3749997 0.74 SCN9A (0.57) TDP1KCNA5KCNH2SCN5ASCN9A

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 TDP1 2095/4885P2RX7 1839/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TDP1 1271/4885P2RX7 1138/4885ALDH1A1 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.