SCHEMBL3745484

SCHEMBL3745484

COCCNC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
MDM2 Q00987 1/20 0.64
ALDH1A1 P00352 6/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.52
KCNA5 P22460 3/20 0.51
KCNH2 Q12809 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL3758129 0.87 ALDH1A1 (0.76) TP53MDM2ALDH1A1LMNASMN1; SMN2
SCHEMBL3755363 0.86 KCNA5 (0.65) TP53ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3754848 0.85 ALDH1A1 (0.58) TP53MDM2ALDH1A1LMNASMN1; SMN2
SCHEMBL3748526 0.84 KCNA5 (0.67) TP53ALDH1A1KCNA5KCNH2
SCHEMBL3745617 0.81 TP53 (0.58) TP53ALDH1A1LMNASMN1; SMN2KCNA5
SCHEMBL3761503 0.80 KCNA5 (0.75) ALDH1A1KCNA5KCNH2
SCHEMBL3757583 0.80 SCN9A (0.69) TP53ALDH1A1LMNASMN1; SMN2KCNA5
SCHEMBL3753420 0.79 ALDH1A1 (0.61) TP53ALDH1A1LMNASMN1; SMN2KCNA5
SCHEMBL3752701 0.79 KCNA5 (0.82) TP53MDM2ALDH1A1LMNASMN1; SMN2
SCHEMBL3754737 0.79 SCN9A (0.59) ALDH1A1LMNASMN1; SMN2KCNA5KCNH2

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 3912/4885MDM2 3686/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TP53 3602/4885MDM2 3351/4885ALDH1A1 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.