SCHEMBL3750436

SCHEMBL3750436

COc1cccc(CN2C(=O)c3ccccc3C2C(=O)NCc2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
POLB P06746 1/20 0.63
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
SCN9A Q15858 5/20 0.58
KCNA5 P22460 3/20 0.56
TP53 P04637 1/20 0.55
KCNH2 Q12809 4/20 0.53
SCN5A Q14524 3/20 0.53
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
F2 P00734 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL3753420 0.93 ALDH1A1 (0.61) ALDH1A1POLBLMNASMN1; SMN2SCN9A
SCHEMBL3762772 0.88 SCN9A (0.56) ALDH1A1POLBLMNASMN1; SMN2SCN9A
SCHEMBL3757583 0.87 SCN9A (0.69) ALDH1A1POLBLMNASMN1; SMN2SCN9A
SCHEMBL3748526 0.86 KCNA5 (0.67) ALDH1A1SCN9AKCNA5TP53KCNH2
SCHEMBL3754737 0.84 SCN9A (0.59) ALDH1A1POLBLMNASMN1; SMN2SCN9A
SCHEMBL3751231 0.84 PRMT5 (0.61) ALDH1A1SCN9AKCNA5KCNH2SCN5A
SCHEMBL3755278 0.84 KCNA5 (0.75) ALDH1A1POLBLMNASMN1; SMN2SCN9A
SCHEMBL3750407 0.83 F2 (0.73) ALDH1A1TP53TSHRNPSR1F2
SCHEMBL3750006 0.82 ALDH1A1 (0.66) ALDH1A1POLBLMNASMN1; SMN2SCN9A
SCHEMBL3745617 0.82 TP53 (0.58) ALDH1A1POLBLMNASMN1; SMN2SCN9A

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 ALDH1A1 315/4885POLB 2841/4885LMNA 228/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885POLB 3428/4885LMNA 461/4885

“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.